N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide

C16H13N3O2S — CID 122151280

IUPACN-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide
SMILESCC(=O)c1cnc(NC(=O)c2ccc3nc(C)ccc3c2)s1
InChIInChI=1S/C16H13N3O2S/c1-9-3-4-11-7-12(5-6-13(11)18-9)15(21)19-16-17-8-14(22-16)10(2)20/h3-8H,1-2H3,(H,17,19,21)
InChIKeyXFOUTAVYSBSLSG-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.45
Rot. Bonds3

About N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide

N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide (PubChem CID 122151280) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide
PubChem CID122151280
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide
SMILESCC(=O)c1cnc(NC(=O)c2ccc3nc(C)ccc3c2)s1
InChIInChI=1S/C16H13N3O2S/c1-9-3-4-11-7-12(5-6-13(11)18-9)15(21)19-16-17-8-14(22-16)10(2)20/h3-8H,1-2H3,(H,17,19,21)
InChIKeyXFOUTAVYSBSLSG-UHFFFAOYSA-N
XLogP3.45
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951676
2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143528
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143541
6-[difluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 91886057
2-Quinolinecarboxamide, N-2-thiazolyl-
CID 2576269
N-[Benzo[d]thiazol-2-yl]nicotinamide
CID 571618
2-(1H-indol-3-yl)-2-oxo-N-(2-thiazolyl)acetamide
CID 2174681
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 855426
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzamide
CID 71662399

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide?
The IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide (CID 122151280) is N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide is CC(=O)c1cnc(NC(=O)c2ccc3nc(C)ccc3c2)s1.
What is the InChIKey of N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide?
The InChIKey is XFOUTAVYSBSLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-9-3-4-11-7-12(5-6-13(11)18-9)15(21)19-16-17-8-14(22-16)10(2)20/h3-8H,1-2H3,(H,17,19,21).
What are the key properties of N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide?
N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 122151280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).