(3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C9H12FN3OS — CID 86631926

IUPAC(3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CC[C@@H](F)C2)s1
InChIInChI=1S/C9H12FN3OS/c1-6-4-11-8(15-6)12-9(14)13-3-2-7(10)5-13/h4,7H,2-3,5H2,1H3,(H,11,12,14)/t7-/m1/s1
InChIKeyCQGOSKCZACOCRP-SSDOTTSWSA-N
MW229.28 g/mol
LogP2.03
Rot. Bonds1

About (3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

(3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 86631926) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is (3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID86631926
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Name(3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CC[C@@H](F)C2)s1
InChIInChI=1S/C9H12FN3OS/c1-6-4-11-8(15-6)12-9(14)13-3-2-7(10)5-13/h4,7H,2-3,5H2,1H3,(H,11,12,14)/t7-/m1/s1
InChIKeyCQGOSKCZACOCRP-SSDOTTSWSA-N
XLogP2.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 86631926) is (3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is Cc1cnc(NC(=O)N2CC[C@@H](F)C2)s1.
What is the InChIKey of (3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is CQGOSKCZACOCRP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12FN3OS/c1-6-4-11-8(15-6)12-9(14)13-3-2-7(10)5-13/h4,7H,2-3,5H2,1H3,(H,11,12,14)/t7-/m1/s1.
What are the key properties of (3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
(3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86631926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).