3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide

C20H12F3N3OS — CID 154173870

IUPAC3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
SMILESNC(=O)c1nc2c(-c3cccc(C(F)(F)F)c3)cccc2cc1-c1nccs1
InChIInChI=1S/C20H12F3N3OS/c21-20(22,23)13-5-1-3-11(9-13)14-6-2-4-12-10-15(19-25-7-8-28-19)17(18(24)27)26-16(12)14/h1-10H,(H2,24,27)
InChIKeyOZWSDNCQEDZUNV-UHFFFAOYSA-N
MW399.40 g/mol
LogP5.14
Rot. Bonds3

About 3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide

3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide (PubChem CID 154173870) has the molecular formula C20H12F3N3OS and a molecular weight of 399.40 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
PubChem CID154173870
Molecular FormulaC20H12F3N3OS
Molecular Weight399.40 g/mol
Exact Mass399.07
IUPAC Name3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
SMILESNC(=O)c1nc2c(-c3cccc(C(F)(F)F)c3)cccc2cc1-c1nccs1
InChIInChI=1S/C20H12F3N3OS/c21-20(22,23)13-5-1-3-11(9-13)14-6-2-4-12-10-15(19-25-7-8-28-19)17(18(24)27)26-16(12)14/h1-10H,(H2,24,27)
InChIKeyOZWSDNCQEDZUNV-UHFFFAOYSA-N
XLogP5.14
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.40
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 163816150
2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline
CID 67134010
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 175845866
3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid
CID 154248063
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
7-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxylic acid
CID 14054335
2-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 143596918
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid
CID 142773911
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of 3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide (CID 154173870) is 3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide is NC(=O)c1nc2c(-c3cccc(C(F)(F)F)c3)cccc2cc1-c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The InChIKey is OZWSDNCQEDZUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3OS/c21-20(22,23)13-5-1-3-11(9-13)14-6-2-4-12-10-15(19-25-7-8-28-19)17(18(24)27)26-16(12)14/h1-10H,(H2,24,27).
What are the key properties of 3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 154173870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).