2WE
Summary
Name: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide |
Formula: | C14 H14 N4 O3 S |
Formal charge: | 0 |
Formula weight: | 318.351 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20) |
InChIKey | InChI | 1.03 | CYADPSMQNARVII-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1nc(sc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2 |
SMILES | CACTVS | 3.385 | COc1nc(sc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N |