(4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C14H18F3NOS — CID 106782527

IUPAC(4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCCCC1CCC(C(=O)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H18F3NOS/c1-2-3-9-4-6-10(7-5-9)12(19)11-8-18-13(20-11)14(15,16)17/h8-10H,2-7H2,1H3
InChIKeyWOGPWONMMXDVJF-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.95
Rot. Bonds4

About (4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782527) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is (4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782527
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name(4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCCCC1CCC(C(=O)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H18F3NOS/c1-2-3-9-4-6-10(7-5-9)12(19)11-8-18-13(20-11)14(15,16)17/h8-10H,2-7H2,1H3
InChIKeyWOGPWONMMXDVJF-UHFFFAOYSA-N
XLogP4.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782432
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one
CID 106784117
2,2-Dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 137444337
2,2,2-Trifluoro-1-[2-[4-(2-methylbut-3-enyl)cyclooctyl]-1,3-thiazol-5-yl]ethanone
CID 163453156
(2-Methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 165405000
2-Cyclobutyl-3-oxo-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanenitrile
CID 169169382
2-Cyclobutyl-2-isocyano-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 176762819
4,4-Dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pentan-1-one
CID 135058218
2,3,3-Trimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-one
CID 135075591
2-(1,3-Thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105126156
1-(4,4-Difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126185
3-Tricyclo[3.2.1.02,4]octanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 105673155

Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782527) is (4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CCCC1CCC(C(=O)c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of (4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is WOGPWONMMXDVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-2-3-9-4-6-10(7-5-9)12(19)11-8-18-13(20-11)14(15,16)17/h8-10H,2-7H2,1H3.
What are the key properties of (4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 305.37 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).