N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

C15H10F3N3O2S — CID 14140545

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCc1cnc(NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)s1
InChIInChI=1S/C15H10F3N3O2S/c1-7-5-20-14(24-7)21-13(23)9-6-19-11-8(12(9)22)3-2-4-10(11)15(16,17)18/h2-6H,1H3,(H,19,22)(H,20,21,23)
InChIKeyXUDRCECIEZCSRC-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.56
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 14140545) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID14140545
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCc1cnc(NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)s1
InChIInChI=1S/C15H10F3N3O2S/c1-7-5-20-14(24-7)21-13(23)9-6-19-11-8(12(9)22)3-2-4-10(11)15(16,17)18/h2-6H,1H3,(H,19,22)(H,20,21,23)
InChIKeyXUDRCECIEZCSRC-UHFFFAOYSA-N
XLogP3.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 14140545) is N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is Cc1cnc(NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is XUDRCECIEZCSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c1-7-5-20-14(24-7)21-13(23)9-6-19-11-8(12(9)22)3-2-4-10(11)15(16,17)18/h2-6H,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 14140545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).