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

C14H21F3N2S — CID 64755104

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1csc(C2(NC(C)C)CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H21F3N2S/c1-9(2)19-13(12-18-10(3)8-20-12)6-4-11(5-7-13)14(15,16)17/h8-9,11,19H,4-7H2,1-3H3
InChIKeyHIISFYHQTDDHRK-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.40
Rot. Bonds3

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

1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755104) 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-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755104
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1csc(C2(NC(C)C)CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H21F3N2S/c1-9(2)19-13(12-18-10(3)8-20-12)6-4-11(5-7-13)14(15,16)17/h8-9,11,19H,4-7H2,1-3H3
InChIKeyHIISFYHQTDDHRK-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-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 1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755104) is 1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is Cc1csc(C2(NC(C)C)CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HIISFYHQTDDHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-9(2)19-13(12-18-10(3)8-20-12)6-4-11(5-7-13)14(15,16)17/h8-9,11,19H,4-7H2,1-3H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 306.40 g/mol, XLogP of 4.40, 3 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-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).