N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

C13H19F3N2S — CID 54883528

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCc1ncc(CNC2CCCCC2C(F)(F)F)s1
InChIInChI=1S/C13H19F3N2S/c1-2-12-18-8-9(19-12)7-17-11-6-4-3-5-10(11)13(14,15)16/h8,10-11,17H,2-7H2,1H3
InChIKeyIVKQEUXDYZWXSR-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.92
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 54883528) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID54883528
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCc1ncc(CNC2CCCCC2C(F)(F)F)s1
InChIInChI=1S/C13H19F3N2S/c1-2-12-18-8-9(19-12)7-17-11-6-4-3-5-10(11)13(14,15)16/h8,10-11,17H,2-7H2,1H3
InChIKeyIVKQEUXDYZWXSR-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 54883528) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is CCc1ncc(CNC2CCCCC2C(F)(F)F)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is IVKQEUXDYZWXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-2-12-18-8-9(19-12)7-17-11-6-4-3-5-10(11)13(14,15)16/h8,10-11,17H,2-7H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 54883528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).