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- ChemComp-PTZ: 5-methyl-4-phenyl-1,3-thiazol-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: PTZ
NameName: 5-methyl-4-phenyl-1,3-thiazol-2-amine / Synonyms: 2-Amino-5-methyl-4-phenylthiazole

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Chemical information

Composition
Formula: C10H10N2S / Number of atoms: 23 / Formula weight: 190.265 / Formal charge: 0
Others

3mox
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PTZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3MOX
History
Create componentApr 27, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
Initial releaseJun 30, 2021
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 12.01n2c(c1ccccc1)c(sc2N)C
CACTVS 3.370Cc1sc(N)nc1c2ccccc2
OpenEye OEToolkits 1.7.0Cc1c(nc(s1)N)c2ccccc2

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SMILES CANONICAL

CACTVS 3.370Cc1sc(N)nc1c2ccccc2
OpenEye OEToolkits 1.7.0Cc1c(nc(s1)N)c2ccccc2

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InChI

InChI 1.03InChI=1S/C10H10N2S/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12)

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InChIKey

InChI 1.03HTXQOROHFFYFMC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-methyl-4-phenyl-1,3-thiazol-2-amine
OpenEye OEToolkits 1.7.05-methyl-4-phenyl-1,3-thiazol-2-amine

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PDB entries

Showing all 1 items

PDB-7nnz:
Crystal structure of Mycobacterium tuberculosis ArgF in complex with 5-methyl-4-phenylthiazol-2-amine.

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