2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

C12H9F3N2O2S — CID 78865648

IUPAC2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nc(C(F)(F)F)cs2)c(O)c1
InChIInChI=1S/C12H9F3N2O2S/c1-6-2-3-7(8(18)4-6)10(19)17-11-16-9(5-20-11)12(13,14)15/h2-5,18H,1H3,(H,16,17,19)
InChIKeyCOAHYQAYQSHHEI-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.43
Rot. Bonds2

About 2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 78865648) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID78865648
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC Name2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nc(C(F)(F)F)cs2)c(O)c1
InChIInChI=1S/C12H9F3N2O2S/c1-6-2-3-7(8(18)4-6)10(19)17-11-16-9(5-20-11)12(13,14)15/h2-5,18H,1H3,(H,16,17,19)
InChIKeyCOAHYQAYQSHHEI-UHFFFAOYSA-N
XLogP3.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 60654609
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863689
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 78863919
N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 102523467
4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863489
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide
CID 47316827
1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 11174547
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide
CID 36540476
[2-methyl-6-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] propanoate
CID 59581634

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (CID 78865648) is 2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(C(=O)Nc2nc(C(F)(F)F)cs2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is COAHYQAYQSHHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c1-6-2-3-7(8(18)4-6)10(19)17-11-16-9(5-20-11)12(13,14)15/h2-5,18H,1H3,(H,16,17,19).
What are the key properties of 2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 302.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 78865648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).