2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C12H10ClF3N2S — CID 106782981

IUPAC2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H10ClF3N2S/c13-8-3-1-7(2-4-8)5-9(17)10-6-18-11(19-10)12(14,15)16/h1-4,6,9H,5,17H2
InChIKeyXTZAJXWWIVOQCE-UHFFFAOYSA-N
MW306.74 g/mol
LogP4.06
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106782981) has the molecular formula C12H10ClF3N2S and a molecular weight of 306.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106782981
Molecular FormulaC12H10ClF3N2S
Molecular Weight306.74 g/mol
Exact Mass306.02
IUPAC Name2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H10ClF3N2S/c13-8-3-1-7(2-4-8)5-9(17)10-6-18-11(19-10)12(14,15)16/h1-4,6,9H,5,17H2
InChIKeyXTZAJXWWIVOQCE-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-chloro-6-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783196
2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783287
2-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782739
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783793
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782715
1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine
CID 61079625
3,5,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-1-amine
CID 106786341
(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782299
1-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridin-4-ylethanamine
CID 89478220
[(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786791
(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786605
(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782172

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106782981) is 2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is NC(Cc1ccc(Cl)cc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XTZAJXWWIVOQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2S/c13-8-3-1-7(2-4-8)5-9(17)10-6-18-11(19-10)12(14,15)16/h1-4,6,9H,5,17H2.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 306.74 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106782981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).