1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one

C14H10F3N3OS — CID 166517241

IUPAC1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one
SMILESCn1c(C(F)(F)F)cc(=O)c2ccc(Nc3nccs3)cc21
InChIInChI=1S/C14H10F3N3OS/c1-20-10-6-8(19-13-18-4-5-22-13)2-3-9(10)11(21)7-12(20)14(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyLQKYAHFHVMDINL-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.76
Rot. Bonds2

About 1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one

1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one (PubChem CID 166517241) has the molecular formula C14H10F3N3OS and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one.

Molecular Properties

Compound Name1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one
PubChem CID166517241
Molecular FormulaC14H10F3N3OS
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC Name1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one
SMILESCn1c(C(F)(F)F)cc(=O)c2ccc(Nc3nccs3)cc21
InChIInChI=1S/C14H10F3N3OS/c1-20-10-6-8(19-13-18-4-5-22-13)2-3-9(10)11(21)7-12(20)14(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyLQKYAHFHVMDINL-UHFFFAOYSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1,3-thiazol-2-yl)benzamide
CID 225470
Benzamide, 4-[(3,3-dimethyl-1-oxobutyl)amino]-3,5-difluoro-N-2-thiazolyl-
CID 16122818
4-(dimethylamino)-N-(thiazol-2-yl)benzamide
CID 2463677
2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 577307
(2-Anilino-1,3-thiazol-5-yl)(4-fluorophenyl)methanone
CID 1482535
4-butyrylamino-N-thiazol-2-ylbenzamide
CID 883547
4-(3-methylbutyrylamino)-N-thiazol-2-ylbenzamide
CID 3463042
o-Tolyl-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
CID 9998721
4-(3,3-Dimethyl-butyrylamino)-3-fluoro-n-thiazol-2-yl-benzamide
CID 11382077
4-(3,3-dimethylbutyrylamino)-N-thiazol-2-yl-benzamide
CID 11771503
4-Hydroxy-2,8-bis-trifluoromethyl-quinoline-3-carboxylic acid thiazol-2-ylamide
CID 14140520
4-hydroxy-2(1-hydroxypropyl)-N-(2-thiazolyl)-8-trifluoromethyl-3-quinoline carboxamide
CID 14140557

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one?
The IUPAC name of 1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one (CID 166517241) is 1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one.
What is the SMILES notation for 1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one?
The canonical SMILES for 1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one is Cn1c(C(F)(F)F)cc(=O)c2ccc(Nc3nccs3)cc21.
What is the InChIKey of 1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one?
The InChIKey is LQKYAHFHVMDINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c1-20-10-6-8(19-13-18-4-5-22-13)2-3-9(10)11(21)7-12(20)14(15,16)17/h2-7H,1H3,(H,18,19).
What are the key properties of 1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one?
1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one has a molecular weight of 325.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(1,3-thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4-one is sourced from PubChem (CID 166517241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).