N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide

C13H16N4O2S — CID 110127271

IUPACN-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide
SMILESCc1nccn1[C@@H]1CC[C@@H](NC(=O)c2cncs2)[C@H]1O
InChIInChI=1S/C13H16N4O2S/c1-8-15-4-5-17(8)10-3-2-9(12(10)18)16-13(19)11-6-14-7-20-11/h4-7,9-10,12,18H,2-3H2,1H3,(H,16,19)/t9-,10-,12-/m1/s1
InChIKeyARXFOCKRSZYKBB-CKYFFXLPSA-N
MW292.36 g/mol
LogP1.14
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide (PubChem CID 110127271) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide
PubChem CID110127271
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide
SMILESCc1nccn1[C@@H]1CC[C@@H](NC(=O)c2cncs2)[C@H]1O
InChIInChI=1S/C13H16N4O2S/c1-8-15-4-5-17(8)10-3-2-9(12(10)18)16-13(19)11-6-14-7-20-11/h4-7,9-10,12,18H,2-3H2,1H3,(H,16,19)/t9-,10-,12-/m1/s1
InChIKeyARXFOCKRSZYKBB-CKYFFXLPSA-N
XLogP1.14
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide (CID 110127271) is N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide is Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2cncs2)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ARXFOCKRSZYKBB-CKYFFXLPSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-15-4-5-17(8)10-3-2-9(12(10)18)16-13(19)11-6-14-7-20-11/h4-7,9-10,12,18H,2-3H2,1H3,(H,16,19)/t9-,10-,12-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110127271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).