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

C13H13ClN4OS — CID 71416793

IUPACN-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(Cl)c(N2CCCC2)s1)c1cccnc1
InChIInChI=1S/C13H13ClN4OS/c14-10-12(18-6-1-2-7-18)20-13(16-10)17-11(19)9-4-3-5-15-8-9/h3-5,8H,1-2,6-7H2,(H,16,17,19)
InChIKeyBORWIDVQCGZFDW-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.04
Rot. Bonds3

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

N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 71416793) 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-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID71416793
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC NameN-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(Cl)c(N2CCCC2)s1)c1cccnc1
InChIInChI=1S/C13H13ClN4OS/c14-10-12(18-6-1-2-7-18)20-13(16-10)17-11(19)9-4-3-5-15-8-9/h3-5,8H,1-2,6-7H2,(H,16,17,19)
InChIKeyBORWIDVQCGZFDW-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-2-carboxamide
CID 71416794
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-3-carboxamide
CID 170421226
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 110756954
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 1265057
(5R)-7-oxo-2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid
CID 125168231
N-[4-(furan-2-yl)-5-piperidin-1-yl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144164
N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 14700265
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)pyridine-3-carboxamide
CID 72719984
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47064687
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 110361821

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 71416793) is N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nc(Cl)c(N2CCCC2)s1)c1cccnc1.
What is the InChIKey of N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is BORWIDVQCGZFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c14-10-12(18-6-1-2-7-18)20-13(16-10)17-11(19)9-4-3-5-15-8-9/h3-5,8H,1-2,6-7H2,(H,16,17,19).
What are the key properties of N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 71416793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).