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

C12H15F3N2OS — CID 110676616

IUPACN-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)sc1C(=O)NC1CCCCC1
InChIInChI=1S/C12H15F3N2OS/c1-7-9(19-11(16-7)12(13,14)15)10(18)17-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,17,18)
InChIKeyBVQVHQWGLNKSOO-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.53
Rot. Bonds2

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

N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110676616) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID110676616
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC NameN-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)sc1C(=O)NC1CCCCC1
InChIInChI=1S/C12H15F3N2OS/c1-7-9(19-11(16-7)12(13,14)15)10(18)17-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,17,18)
InChIKeyBVQVHQWGLNKSOO-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812
N-cyclopentyl-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 45495297
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 82117272
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49016384
N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676610
[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110676615
N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142092
3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53382481
N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 110676616) is N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)sc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BVQVHQWGLNKSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-7-9(19-11(16-7)12(13,14)15)10(18)17-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,17,18).
What are the key properties of N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110676616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).