N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C12H9F3N2OS — CID 84555128

IUPACN-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2scnc2C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2OS/c1-7-3-2-4-8(5-7)17-11(18)9-10(12(13,14)15)16-6-19-9/h2-6H,1H3,(H,17,18)
InChIKeyDOJBISWBKMYBPJ-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.72
Rot. Bonds2

About N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84555128) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84555128
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC NameN-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2scnc2C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2OS/c1-7-3-2-4-8(5-7)17-11(18)9-10(12(13,14)15)16-6-19-9/h2-6H,1H3,(H,17,18)
InChIKeyDOJBISWBKMYBPJ-UHFFFAOYSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84555350
propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
CID 84555332
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554602
N-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554062
N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554403
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
tert-butyl-[2-[(3-methylphenyl)carbamoyl]thiophen-3-yl]carbamic acid
CID 67127811
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84560535
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84555128) is N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1cccc(NC(=O)c2scnc2C(F)(F)F)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DOJBISWBKMYBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c1-7-3-2-4-8(5-7)17-11(18)9-10(12(13,14)15)16-6-19-9/h2-6H,1H3,(H,17,18).
What are the key properties of N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84555128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).