1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine

C15H23F3N2S — CID 64757627

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCNC1(c2nc(C)c(C)s2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H23F3N2S/c1-4-8-19-14(13-20-10(2)11(3)21-13)7-5-6-12(9-14)15(16,17)18/h12,19H,4-9H2,1-3H3
InChIKeyBNNNJWHTWLGWGC-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.71
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757627) has the molecular formula C15H23F3N2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757627
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCNC1(c2nc(C)c(C)s2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H23F3N2S/c1-4-8-19-14(13-20-10(2)11(3)21-13)7-5-6-12(9-14)15(16,17)18/h12,19H,4-9H2,1-3H3
InChIKeyBNNNJWHTWLGWGC-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757627) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine is CCCNC1(c2nc(C)c(C)s2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BNNNJWHTWLGWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-4-8-19-14(13-20-10(2)11(3)21-13)7-5-6-12(9-14)15(16,17)18/h12,19H,4-9H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 320.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).