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

C15H11N3O2S — CID 24555770

IUPACN-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2ccc3ccccc3n2)n1
InChIInChI=1S/C15H11N3O2S/c1-9(19)13-8-21-15(17-13)18-14(20)12-7-6-10-4-2-3-5-11(10)16-12/h2-8H,1H3,(H,17,18,20)
InChIKeyIODDJKRSXHIPGN-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.15
Rot. Bonds3

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

N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide (PubChem CID 24555770) 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-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
PubChem CID24555770
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2ccc3ccccc3n2)n1
InChIInChI=1S/C15H11N3O2S/c1-9(19)13-8-21-15(17-13)18-14(20)12-7-6-10-4-2-3-5-11(10)16-12/h2-8H,1H3,(H,17,18,20)
InChIKeyIODDJKRSXHIPGN-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
methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 38986621
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 78913584
N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 17399707
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
CID 9117772
N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60717086
N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262518
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919
N-(4-acetyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 24555768
N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane
CID 161338496
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55583002

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide (CID 24555770) is N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide is CC(=O)c1csc(NC(=O)c2ccc3ccccc3n2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is IODDJKRSXHIPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c1-9(19)13-8-21-15(17-13)18-14(20)12-7-6-10-4-2-3-5-11(10)16-12/h2-8H,1H3,(H,17,18,20).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-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-2-carboxamide is sourced from PubChem (CID 24555770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).