(3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone

C17H12F3N3OS — CID 87869547

IUPAC(3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
SMILESCc1cccnc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C17H12F3N3OS/c1-10-4-3-7-21-14(10)15(24)13-9-22-16(25-13)23-12-6-2-5-11(8-12)17(18,19)20/h2-9H,1H3,(H,22,23)
InChIKeyMRFJRJAGQBCBAZ-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.84
Rot. Bonds4

About (3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone

(3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone (PubChem CID 87869547) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
PubChem CID87869547
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name(3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
SMILESCc1cccnc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C17H12F3N3OS/c1-10-4-3-7-21-14(10)15(24)13-9-22-16(25-13)23-12-6-2-5-11(8-12)17(18,19)20/h2-9H,1H3,(H,22,23)
InChIKeyMRFJRJAGQBCBAZ-UHFFFAOYSA-N
XLogP4.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 87869650
bis[2-[2-(2-methylphenyl)-3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 161166254
N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;2-anilino-1,3-thiazole-5-carboxylic acid
CID 162621852
2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 11753209
N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 11569554
(2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone
CID 142932234
[2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 151619613
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
1-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 69442962
2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 141271063
bis[4-[3-(trifluoromethyl)anilino]-5,6,7,8-tetrahydroisoquinolin-1-yl]methanone
CID 150970558
(2-anilino-1,3-thiazol-5-yl)-phenylmethanone
CID 1482526

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone (CID 87869547) is (3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone is Cc1cccnc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of (3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone?
The InChIKey is MRFJRJAGQBCBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c1-10-4-3-7-21-14(10)15(24)13-9-22-16(25-13)23-12-6-2-5-11(8-12)17(18,19)20/h2-9H,1H3,(H,22,23).
What are the key properties of (3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone?
(3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone has a molecular weight of 363.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 87869547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).