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

C14H21F3N2S — CID 64757626

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCNC1(c2nc(C)cs2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2S/c1-3-7-18-13(12-19-10(2)9-20-12)6-4-5-11(8-13)14(15,16)17/h9,11,18H,3-8H2,1-2H3
InChIKeyOONLLHDMUHHKGT-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.40
Rot. Bonds4

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

1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757626) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757626
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCNC1(c2nc(C)cs2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2S/c1-3-7-18-13(12-19-10(2)9-20-12)6-4-5-11(8-13)14(15,16)17/h9,11,18H,3-8H2,1-2H3
InChIKeyOONLLHDMUHHKGT-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methyl-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-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757626) is 1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine is CCCNC1(c2nc(C)cs2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OONLLHDMUHHKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-3-7-18-13(12-19-10(2)9-20-12)6-4-5-11(8-13)14(15,16)17/h9,11,18H,3-8H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine?
1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 306.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).