(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C14H14N4O3S — CID 95286227

IUPAC(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C14H14N4O3S/c19-11-9(3-1-5-15-11)13(21)18-7-2-4-10(18)12(20)17-14-16-6-8-22-14/h1,3,5-6,8,10H,2,4,7H2,(H,15,19)(H,16,17,20)/t10-/m1/s1
InChIKeySTBRXORTCXMDOH-SNVBAGLBSA-N
MW318.36 g/mol
LogP1.07
Rot. Bonds3

About (2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 95286227) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is (2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID95286227
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C14H14N4O3S/c19-11-9(3-1-5-15-11)13(21)18-7-2-4-10(18)12(20)17-14-16-6-8-22-14/h1,3,5-6,8,10H,2,4,7H2,(H,15,19)(H,16,17,20)/t10-/m1/s1
InChIKeySTBRXORTCXMDOH-SNVBAGLBSA-N
XLogP1.07
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 95286227) is (2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc[nH]c1=O.
What is the InChIKey of (2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is STBRXORTCXMDOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N4O3S/c19-11-9(3-1-5-15-11)13(21)18-7-2-4-10(18)12(20)17-14-16-6-8-22-14/h1,3,5-6,8,10H,2,4,7H2,(H,15,19)(H,16,17,20)/t10-/m1/s1.
What are the key properties of (2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95286227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).