| CAS Number | 1211505-49-5 |
| Catalog Number | AG01AFIG |
| Chemical Name | 2-(Pyrrolidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxylic acid |
| IUPAC Name | 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylic acid |
| InChI | InChI=1S/C10H10N2O2S2/c13-9(14)7-5-6-8(15-7)11-10(16-6)12-3-1-2-4-12/h5H,1-4H2,(H,13,14) |
| InChI Key | SSIJREFNTJCFIQ-UHFFFAOYSA-N |
| MDL Number | MFCD18453278 |
| Molecular Formula | C10H10N2O2S2 |
| Molecular Weight | 254.3286 |
| SMILES | OC(C1SC2=C(SC(N3CCCC3)=N2)C=1)=O |
| Synonyms | 1211505-49-5,
2-(pyrrolidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxylic acid,
ZINC40176369,
AKOS005198926,
2-Pyrrolidin-1-yl-thieno[2,3-d]thiazole-5-carboxylic acid,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.322g/mol |
| Monoisotopic Mass | 254.018g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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