[2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

C17H20F6N2OS — CID 140530768

IUPAC[2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(C2(C(F)(F)F)CCCCC2)n1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H20F6N2OS/c18-16(19,20)11-4-8-25(9-5-11)13(26)12-10-27-14(24-12)15(17(21,22)23)6-2-1-3-7-15/h10-11H,1-9H2
InChIKeyIQOPMPWVVYMFBL-UHFFFAOYSA-N
MW414.42 g/mol
LogP5.32
Rot. Bonds2

About [2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

[2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 140530768) has the molecular formula C17H20F6N2OS and a molecular weight of 414.42 g/mol. Its IUPAC name is [2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID140530768
Molecular FormulaC17H20F6N2OS
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name[2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(C2(C(F)(F)F)CCCCC2)n1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H20F6N2OS/c18-16(19,20)11-4-8-25(9-5-11)13(26)12-10-27-14(24-12)15(17(21,22)23)6-2-1-3-7-15/h10-11H,1-9H2
InChIKeyIQOPMPWVVYMFBL-UHFFFAOYSA-N
XLogP5.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-[(4,4-difluorocyclohexanecarbonyl)amino]-2-methylpropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxamide
CID 137631989
(2S)-2-cyclohexyl-2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetonitrile
CID 95587212
N-cyclohexyl-N-cyclopropyl-2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 44480773
(4-Tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 58395051
[2-[4-(Trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 59295474
(4-Ethylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 68260730
(4-Methylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 89616600
Piperidin-1-yl-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 175796344
1,3-Thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63038430
1,3-Thiazol-4-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65536303
[2-(Aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 66375511
2-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 66376475

Frequently Asked Questions

What is the IUPAC name of [2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 140530768) is [2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1csc(C2(C(F)(F)F)CCCCC2)n1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of [2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is IQOPMPWVVYMFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F6N2OS/c18-16(19,20)11-4-8-25(9-5-11)13(26)12-10-27-14(24-12)15(17(21,22)23)6-2-1-3-7-15/h10-11H,1-9H2.
What are the key properties of [2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
[2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 414.42 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 140530768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).