N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C12H15F3N2OS — CID 84558407

IUPACN-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-7-4-2-3-5-8(7)17-11(18)9-10(12(13,14)15)16-6-19-9/h6-8H,2-5H2,1H3,(H,17,18)
InChIKeyZNSRROFBFMNNGT-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.47
Rot. Bonds2

About N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84558407) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84558407
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC NameN-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-7-4-2-3-5-8(7)17-11(18)9-10(12(13,14)15)16-6-19-9/h6-8H,2-5H2,1H3,(H,17,18)
InChIKeyZNSRROFBFMNNGT-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(piperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 43167642
4-methyl-N-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 45823446
(1S,11R)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201217
(3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine
CID 72877039
4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94029587
N-[(2S)-2-ethylhexyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 94111712
4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide
CID 99833463
N-(4,4-difluorocyclohexyl)-4-methylthiazole-5-carboxamide
CID 121021892
2-(1-methoxyethyl)-4-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 164636186
4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 16727058
N-(2-butan-2-ylcyclohexyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 19937611
2-Methyl-4-trifluoromethyl-thiazole-5-carboxylic acid-trans-2-sec-butylcyclohexylamide
CID 22853537

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84558407) is N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC1CCCCC1NC(=O)c1scnc1C(F)(F)F.
What is the InChIKey of N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZNSRROFBFMNNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-7-4-2-3-5-8(7)17-11(18)9-10(12(13,14)15)16-6-19-9/h6-8H,2-5H2,1H3,(H,17,18).
What are the key properties of N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84558407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).