N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C13H13ClN4OS — CID 71416794

IUPACN-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nc(Cl)c(N2CCCC2)s1)c1ccccn1
InChIInChI=1S/C13H13ClN4OS/c14-10-12(18-7-3-4-8-18)20-13(16-10)17-11(19)9-5-1-2-6-15-9/h1-2,5-6H,3-4,7-8H2,(H,16,17,19)
InChIKeyLTBNUCYRIUKZIC-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.04
Rot. Bonds3

About N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide

N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 71416794) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID71416794
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC NameN-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nc(Cl)c(N2CCCC2)s1)c1ccccn1
InChIInChI=1S/C13H13ClN4OS/c14-10-12(18-7-3-4-8-18)20-13(16-10)17-11(19)9-5-1-2-6-15-9/h1-2,5-6H,3-4,7-8H2,(H,16,17,19)
InChIKeyLTBNUCYRIUKZIC-UHFFFAOYSA-N
XLogP3.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 71416793
N-[2,5-di(piperidin-1-yl)thiophen-3-yl]pyridine-2-carboxamide
CID 118224407
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 19710906
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-2-carboxamide
CID 82194079
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
N'-(piperidine-1-carbonyl)pyridine-2-carbohydrazide
CID 141057389
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride
CID 71778985
N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90528624
2-(pyridine-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 110471210
N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528497

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 71416794) is N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide is O=C(Nc1nc(Cl)c(N2CCCC2)s1)c1ccccn1.
What is the InChIKey of N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is LTBNUCYRIUKZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c14-10-12(18-7-3-4-8-18)20-13(16-10)17-11(19)9-5-1-2-6-15-9/h1-2,5-6H,3-4,7-8H2,(H,16,17,19).
What are the key properties of N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71416794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).