N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

C12H17F3N2S — CID 64759630

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCCc2cscn2)C1
InChIInChI=1S/C12H17F3N2S/c13-12(14,15)9-2-1-3-10(6-9)16-5-4-11-7-18-8-17-11/h7-10,16H,1-6H2
InChIKeySVRUOGCLVQCINB-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.40
Rot. Bonds4

About N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64759630) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64759630
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCCc2cscn2)C1
InChIInChI=1S/C12H17F3N2S/c13-12(14,15)9-2-1-3-10(6-9)16-5-4-11-7-18-8-17-11/h7-10,16H,1-6H2
InChIKeySVRUOGCLVQCINB-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine
CID 79458882
N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine
CID 103982153
1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 63829174
tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate
CID 80562083
N-[2-(1,3-thiazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 63829725
3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 63829195
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304
N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 107302816
5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 79959217
N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759430
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 64759630) is N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCCc2cscn2)C1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is SVRUOGCLVQCINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c13-12(14,15)9-2-1-3-10(6-9)16-5-4-11-7-18-8-17-11/h7-10,16H,1-6H2.
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 278.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64759630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).