N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide

C12H13N3OS — CID 110131611

IUPACN-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2cncs2)nc1
InChIInChI=1S/C12H13N3OS/c1-8(2)15-12(16)9-3-4-10(14-5-9)11-6-13-7-17-11/h3-8H,1-2H3,(H,15,16)
InChIKeyUKROSLTUTURCMP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.34
Rot. Bonds3

About N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide

N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide (PubChem CID 110131611) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide
PubChem CID110131611
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2cncs2)nc1
InChIInChI=1S/C12H13N3OS/c1-8(2)15-12(16)9-3-4-10(14-5-9)11-6-13-7-17-11/h3-8H,1-2H3,(H,15,16)
InChIKeyUKROSLTUTURCMP-UHFFFAOYSA-N
XLogP2.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethynyl-N-propan-2-ylpyridine-3-carboxamide
CID 90450091
6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide
CID 121261417
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
6-(difluoromethoxy)-N-propan-2-ylpyridine-3-carboxamide
CID 155585909
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148
[6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid
CID 164662483
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131636
6-(4-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 93070978
methyl 2-[(6-fluoropyridine-3-carbonyl)amino]propanoate
CID 63977637
N-(3-methoxybutyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 71173995

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide (CID 110131611) is N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide is CC(C)NC(=O)c1ccc(-c2cncs2)nc1.
What is the InChIKey of N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide?
The InChIKey is UKROSLTUTURCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(2)15-12(16)9-3-4-10(14-5-9)11-6-13-7-17-11/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide?
N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 110131611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).