2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide

C14H7ClF3N3OS — CID 87189840

IUPAC2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2cc(C(F)(F)F)c(Cl)nc12
InChIInChI=1S/C14H7ClF3N3OS/c15-11-9(14(16,17)18)6-7-2-1-3-8(10(7)20-11)12(22)21-13-19-4-5-23-13/h1-6H,(H,19,21,22)
InChIKeyJXAWDERZWJTPLS-UHFFFAOYSA-N
MW357.74 g/mol
LogP4.62
Rot. Bonds2

About 2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide

2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide (PubChem CID 87189840) has the molecular formula C14H7ClF3N3OS and a molecular weight of 357.74 g/mol. Its IUPAC name is 2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide
PubChem CID87189840
Molecular FormulaC14H7ClF3N3OS
Molecular Weight357.74 g/mol
Exact Mass357.00
IUPAC Name2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2cc(C(F)(F)F)c(Cl)nc12
InChIInChI=1S/C14H7ClF3N3OS/c15-11-9(14(16,17)18)6-7-2-1-3-8(10(7)20-11)12(22)21-13-19-4-5-23-13/h1-6H,(H,19,21,22)
InChIKeyJXAWDERZWJTPLS-UHFFFAOYSA-N
XLogP4.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.74
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
CID 87189922
2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-4-carboxamide
CID 87688373
N-(1,3-thiazol-2-yl)phenazine-1-carboxamide
CID 3713587
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
CID 58154708
2-chloro-5-phenyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 10448430
2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-7-carboxamide
CID 87688369
2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279339
N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367685
4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide
CID 45254742
2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279405
2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide?
The IUPAC name of 2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide (CID 87189840) is 2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide?
The canonical SMILES for 2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide is O=C(Nc1nccs1)c1cccc2cc(C(F)(F)F)c(Cl)nc12.
What is the InChIKey of 2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide?
The InChIKey is JXAWDERZWJTPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N3OS/c15-11-9(14(16,17)18)6-7-2-1-3-8(10(7)20-11)12(22)21-13-19-4-5-23-13/h1-6H,(H,19,21,22).
What are the key properties of 2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide?
2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide has a molecular weight of 357.74 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide is sourced from PubChem (CID 87189840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).