7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one

C16H14F3N3O2S — CID 166517293

IUPAC7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one
SMILESCC(O)c1cnc(Nc2ccc3c(=O)cc(C(F)(F)F)n(C)c3c2)s1
InChIInChI=1S/C16H14F3N3O2S/c1-8(23)13-7-20-15(25-13)21-9-3-4-10-11(5-9)22(2)14(6-12(10)24)16(17,18)19/h3-8,23H,1-2H3,(H,20,21)
InChIKeyOQWJSFMFTOTURD-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.81
Rot. Bonds3

About 7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one

7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one (PubChem CID 166517293) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is 7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one.

Molecular Properties

Compound Name7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one
PubChem CID166517293
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one
SMILESCC(O)c1cnc(Nc2ccc3c(=O)cc(C(F)(F)F)n(C)c3c2)s1
InChIInChI=1S/C16H14F3N3O2S/c1-8(23)13-7-20-15(25-13)21-9-3-4-10-11(5-9)22(2)14(6-12(10)24)16(17,18)19/h3-8,23H,1-2H3,(H,20,21)
InChIKeyOQWJSFMFTOTURD-UHFFFAOYSA-N
XLogP3.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one?
The IUPAC name of 7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one (CID 166517293) is 7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one.
What is the SMILES notation for 7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one?
The canonical SMILES for 7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one is CC(O)c1cnc(Nc2ccc3c(=O)cc(C(F)(F)F)n(C)c3c2)s1.
What is the InChIKey of 7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one?
The InChIKey is OQWJSFMFTOTURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c1-8(23)13-7-20-15(25-13)21-9-3-4-10-11(5-9)22(2)14(6-12(10)24)16(17,18)19/h3-8,23H,1-2H3,(H,20,21).
What are the key properties of 7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one?
7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one has a molecular weight of 369.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one is sourced from PubChem (CID 166517293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).