57U
Summary
| Name: | 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea |
| Formula: | C11 H14 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 266.319 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea |
| OpenEye OEToolkits | 1.9.2 | 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(sc(c1cccn1)c(CO)n2)NC(=O)NCC |
| InChI | InChI | 1.03 | InChI=1S/C11H14N4O2S/c1-2-12-10(17)15-11-14-8(6-16)9(18-11)7-4-3-5-13-7/h3-5,13,16H,2,6H2,1H3,(H2,12,14,15,17) |
| InChIKey | InChI | 1.03 | YLSYQKDIZQYYGN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)Nc1sc(c(CO)n1)c2[nH]ccc2 |
| SMILES | CACTVS | 3.385 | CCNC(=O)Nc1sc(c(CO)n1)c2[nH]ccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)CO |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)CO |
