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

C14H21F3N2S — CID 43730360

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nc(C(C)NC2CCC(C(F)(F)F)CC2)c(C)s1
InChIInChI=1S/C14H21F3N2S/c1-8(13-9(2)20-10(3)19-13)18-12-6-4-11(5-7-12)14(15,16)17/h8,11-12,18H,4-7H2,1-3H3
InChIKeyBMUWWFYIQXLHIM-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.53
Rot. Bonds3

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43730360) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43730360
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nc(C(C)NC2CCC(C(F)(F)F)CC2)c(C)s1
InChIInChI=1S/C14H21F3N2S/c1-8(13-9(2)20-10(3)19-13)18-12-6-4-11(5-7-12)14(15,16)17/h8,11-12,18H,4-7H2,1-3H3
InChIKeyBMUWWFYIQXLHIM-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(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 N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 43730360) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cc1nc(C(C)NC2CCC(C(F)(F)F)CC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BMUWWFYIQXLHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-8(13-9(2)20-10(3)19-13)18-12-6-4-11(5-7-12)14(15,16)17/h8,11-12,18H,4-7H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 306.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43730360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).