N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide

C15H11N3O2S — CID 78913584

IUPACN-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2ccnc3ccccc23)n1
InChIInChI=1S/C15H11N3O2S/c1-9(19)13-8-21-15(17-13)18-14(20)11-6-7-16-12-5-3-2-4-10(11)12/h2-8H,1H3,(H,17,18,20)
InChIKeyYJOVURRYBGBREY-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.15
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 78913584) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID78913584
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2ccnc3ccccc23)n1
InChIInChI=1S/C15H11N3O2S/c1-9(19)13-8-21-15(17-13)18-14(20)11-6-7-16-12-5-3-2-4-10(11)12/h2-8H,1H3,(H,17,18,20)
InChIKeyYJOVURRYBGBREY-UHFFFAOYSA-N
XLogP3.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-2-carboxamide
CID 26469458
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
1-(2-quinolin-4-yl-1,3-thiazol-4-yl)ethanone
CID 64542810
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 112795524
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
N-(4-acetyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 24555768
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide
CID 103118181
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919
N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 17428702
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-benzothiophene-3-carboxamide
CID 77046971

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 78913584) is N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide is CC(=O)c1csc(NC(=O)c2ccnc3ccccc23)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is YJOVURRYBGBREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c1-9(19)13-8-21-15(17-13)18-14(20)11-6-7-16-12-5-3-2-4-10(11)12/h2-8H,1H3,(H,17,18,20).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 78913584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).