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- ChemComp-27Z: 4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 27Z
NameName: 4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

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Chemical information

Composition
Formula: C10H11N5O3S2 / Number of atoms: 31 / Formula weight: 313.356 / Formal charge: 0
Others

3rpy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 27Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3RPY
History
Create componentApr 28, 2011
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Initial releaseOct 26, 2012
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=S(=O)(N)c2ccc(Nc1nc(c(s1)C(=O)N)N)cc2
CACTVS 3.370NC(=O)c1sc(Nc2ccc(cc2)[S](N)(=O)=O)nc1N
OpenEye OEToolkits 1.7.2c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.370NC(=O)c1sc(Nc2ccc(cc2)[S](N)(=O)=O)nc1N
OpenEye OEToolkits 1.7.2c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C10H11N5O3S2/c11-8-7(9(12)16)19-10(15-8)14-5-1-3-6(4-2-5)20(13,17)18/h1-4H,11H2,(H2,12,16)(H,14,15)(H2,13,17,18)

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InChIKey

InChI 1.03NYEMVPGQXLAKEH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
OpenEye OEToolkits 1.7.24-azanyl-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide

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PDB entries

Showing all 1 items

PDB-3rpy:
CDK2 in complex with inhibitor RC-2-40

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