(4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone

C12H9F3N2OS — CID 142830561

IUPAC(4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1nc(N)c(C(=O)c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C12H9F3N2OS/c1-6-17-11(16)10(19-6)9(18)7-3-2-4-8(5-7)12(13,14)15/h2-5H,16H2,1H3
InChIKeyLZHPRTOADCLBAK-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.28
Rot. Bonds2

About (4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone

(4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 142830561) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is (4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID142830561
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name(4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1nc(N)c(C(=O)c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C12H9F3N2OS/c1-6-17-11(16)10(19-6)9(18)7-3-2-4-8(5-7)12(13,14)15/h2-5H,16H2,1H3
InChIKeyLZHPRTOADCLBAK-UHFFFAOYSA-N
XLogP3.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-2-methyl-1,3-thiazol-5-yl)-(3-fluorophenyl)methanone
CID 142153954
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone;(E)-3-methylhex-3-en-1-yne
CID 143283685
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
(2-amino-5-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 69458857
2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylic acid
CID 149120957
[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 152554134
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride
CID 15104281
(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970207
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 142830561) is (4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone is Cc1nc(N)c(C(=O)c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of (4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is LZHPRTOADCLBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c1-6-17-11(16)10(19-6)9(18)7-3-2-4-8(5-7)12(13,14)15/h2-5H,16H2,1H3.
What are the key properties of (4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone?
(4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 286.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 142830561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).