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

C12H17F3N2S — CID 64755090

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCc2cscn2)CC1
InChIInChI=1S/C12H17F3N2S/c13-12(14,15)9-1-3-10(4-2-9)16-6-5-11-7-18-8-17-11/h7-10,16H,1-6H2
InChIKeyNLCPINOKDDNZJM-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.40
Rot. Bonds4

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

N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755090) 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]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755090
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCc2cscn2)CC1
InChIInChI=1S/C12H17F3N2S/c13-12(14,15)9-1-3-10(4-2-9)16-6-5-11-7-18-8-17-11/h7-10,16H,1-6H2
InChIKeyNLCPINOKDDNZJM-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755090) is N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCCc2cscn2)CC1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NLCPINOKDDNZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c13-12(14,15)9-1-3-10(4-2-9)16-6-5-11-7-18-8-17-11/h7-10,16H,1-6H2.
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(1,3-thiazol-4-yl)ethyl]-4-(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]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).