Z60
Summary
| Name: | [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone |
| Formula: | C11 H10 Cl N3 O S2 |
| Formal charge: | 0 |
| Formula weight: | 299.8 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](5-chlorothiophen-2-yl)methanone |
| OpenEye OEToolkits | 1.7.2 | [4-azanyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(5-chloranylthiophen-2-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1sc(cc1)C(=O)c2sc(nc2N)NC\C=C |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(NCC=C)sc1C(=O)c2sc(Cl)cc2 |
| SMILES | CACTVS | 3.370 | Nc1nc(NCC=C)sc1C(=O)c2sc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N |
| InChI | InChI | 1.03 | InChI=1S/C11H10ClN3OS2/c1-2-5-14-11-15-10(13)9(18-11)8(16)6-3-4-7(12)17-6/h2-4H,1,5,13H2,(H,14,15) |
| InChIKey | InChI | 1.03 | KOFQZAVTXLVRJI-UHFFFAOYSA-N |
