Z63
Summary
Name: | [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone |
Formula: | C12 H12 N4 O S |
Formal charge: | 0 |
Formula weight: | 260.315 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone |
OpenEye OEToolkits | 1.7.0 | [4-azanyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-yl-methanone |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1sc(nc1N)NC\C=C)c2ccncc2 |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(NCC=C)sc1C(=O)c2ccncc2 |
SMILES | CACTVS | 3.370 | Nc1nc(NCC=C)sc1C(=O)c2ccncc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C=CCNc1nc(c(s1)C(=O)c2ccncc2)N |
SMILES | OpenEye OEToolkits | 1.7.0 | C=CCNc1nc(c(s1)C(=O)c2ccncc2)N |
InChI | InChI | 1.03 | InChI=1S/C12H12N4OS/c1-2-5-15-12-16-11(13)10(18-12)9(17)8-3-6-14-7-4-8/h2-4,6-7H,1,5,13H2,(H,15,16) |
InChIKey | InChI | 1.03 | JYLDWTJXERPEGH-UHFFFAOYSA-N |