N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide

C13H14F6N2OS — CID 166232251

IUPACN-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1nc(NC(=O)C2CCC(C(F)(F)F)CC2)sc1C(F)(F)F
InChIInChI=1S/C13H14F6N2OS/c1-6-9(13(17,18)19)23-11(20-6)21-10(22)7-2-4-8(5-3-7)12(14,15)16/h7-8H,2-5H2,1H3,(H,20,21,22)
InChIKeyLKMRGXLOZOGMJZ-UHFFFAOYSA-N
MW360.32 g/mol
LogP4.78
Rot. Bonds2

About N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 166232251) has the molecular formula C13H14F6N2OS and a molecular weight of 360.32 g/mol. Its IUPAC name is N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID166232251
Molecular FormulaC13H14F6N2OS
Molecular Weight360.32 g/mol
Exact Mass360.07
IUPAC NameN-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1nc(NC(=O)C2CCC(C(F)(F)F)CC2)sc1C(F)(F)F
InChIInChI=1S/C13H14F6N2OS/c1-6-9(13(17,18)19)23-11(20-6)21-10(22)7-2-4-8(5-3-7)12(14,15)16/h7-8H,2-5H2,1H3,(H,20,21,22)
InChIKeyLKMRGXLOZOGMJZ-UHFFFAOYSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 166232251) is N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1nc(NC(=O)C2CCC(C(F)(F)F)CC2)sc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is LKMRGXLOZOGMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6N2OS/c1-6-9(13(17,18)19)23-11(20-6)21-10(22)7-2-4-8(5-3-7)12(14,15)16/h7-8H,2-5H2,1H3,(H,20,21,22).
What are the key properties of N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 360.32 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 166232251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).