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

C15H12F3N3OS — CID 166517297

IUPAC1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one
SMILESCc1cnc(Nc2ccc3c(=O)cc(C(F)(F)F)n(C)c3c2)s1
InChIInChI=1S/C15H12F3N3OS/c1-8-7-19-14(23-8)20-9-3-4-10-11(5-9)21(2)13(6-12(10)22)15(16,17)18/h3-7H,1-2H3,(H,19,20)
InChIKeyUYQHKEIRPDWAFU-UHFFFAOYSA-N
MW339.34 g/mol
LogP4.07
Rot. Bonds2

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

1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one (PubChem CID 166517297) has the molecular formula C15H12F3N3OS and a molecular weight of 339.34 g/mol. Its IUPAC name is 1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one.

Molecular Properties

Compound Name1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one
PubChem CID166517297
Molecular FormulaC15H12F3N3OS
Molecular Weight339.34 g/mol
Exact Mass339.07
IUPAC Name1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one
SMILESCc1cnc(Nc2ccc3c(=O)cc(C(F)(F)F)n(C)c3c2)s1
InChIInChI=1S/C15H12F3N3OS/c1-8-7-19-14(23-8)20-9-3-4-10-11(5-9)21(2)13(6-12(10)22)15(16,17)18/h3-7H,1-2H3,(H,19,20)
InChIKeyUYQHKEIRPDWAFU-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Anilino-1,3-thiazol-5-yl)(4-fluorophenyl)methanone
CID 1482535
o-Tolyl-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
CID 9998721
3-[5-(2-Trifluoromethyl-benzoyl)-thiazol-2-ylamino]-benzonitrile
CID 10044852
3-[5-(2-Fluoro-benzoyl)-thiazol-2-ylamino]-benzonitrile
CID 10403909
4-(3,3-dimethylbutyrylamino)-N-(5-methylthiazol-2-yl)benzamide
CID 11313542
4-Hydroxy-2,8-bis-trifluoromethyl-quinoline-3-carboxylic acid thiazol-2-ylamide
CID 14140520
4-hydroxy-2-[(S) 1-[(1-oxopropyl)-amino]-propyl]-N-(2-thiazolyl)-8-trifluoromethyl-3-quinoline carboxamide
CID 14140575
(3-Fluoro-phenyl)-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
CID 44390118
(2-Ethyl-phenyl)-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
CID 44390147
(2-Trifluoromethyl-phenyl)-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
CID 44390156
(2-Anilino-1,3-thiazol-5-yl)(phenyl)methanone
CID 1482526
2-Dichloromethyl-4-hydroxy-8-trifluoromethyl-quinoline-3-carboxylic acid thiazol-2-ylamide
CID 10093672

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one?
The IUPAC name of 1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one (CID 166517297) is 1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one.
What is the SMILES notation for 1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one?
The canonical SMILES for 1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one is Cc1cnc(Nc2ccc3c(=O)cc(C(F)(F)F)n(C)c3c2)s1.
What is the InChIKey of 1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one?
The InChIKey is UYQHKEIRPDWAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3OS/c1-8-7-19-14(23-8)20-9-3-4-10-11(5-9)21(2)13(6-12(10)22)15(16,17)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of 1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one?
1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one has a molecular weight of 339.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one is sourced from PubChem (CID 166517297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).