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

C16H23F3N2OS — CID 126770233

IUPAC4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C16H23F3N2OS/c1-10(2)11-3-5-12(6-4-11)15(22)20-8-7-14-21-13(9-23-14)16(17,18)19/h9-12H,3-8H2,1-2H3,(H,20,22)
InChIKeyCYAAGQJMXPRYQJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.28
Rot. Bonds5

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

4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide (PubChem CID 126770233) has the molecular formula C16H23F3N2OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide
PubChem CID126770233
Molecular FormulaC16H23F3N2OS
Molecular Weight348.43 g/mol
Exact Mass348.15
IUPAC Name4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C16H23F3N2OS/c1-10(2)11-3-5-12(6-4-11)15(22)20-8-7-14-21-13(9-23-14)16(17,18)19/h9-12H,3-8H2,1-2H3,(H,20,22)
InChIKeyCYAAGQJMXPRYQJ-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
CID 119335999
3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119805400
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]azepane-1-carboxamide
CID 71867571
1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 100651064
2-methyl-N-[2-[[N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]amino]ethyl]propanamide
CID 111688602
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111687532
2-(3-methylbutyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111820895
(3R)-4-[(2R)-2-hydroxypropyl]-3-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide
CID 97334592
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119878944
1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122004458
4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 71993341
2-propyl-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111820928

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide (CID 126770233) is 4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide is CC(C)C1CCC(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is CYAAGQJMXPRYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2OS/c1-10(2)11-3-5-12(6-4-11)15(22)20-8-7-14-21-13(9-23-14)16(17,18)19/h9-12H,3-8H2,1-2H3,(H,20,22).
What are the key properties of 4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide?
4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 126770233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).