2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C13H14ClFN2S — CID 107891595

IUPAC2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)c(F)c1)c1csc(C)n1
InChIInChI=1S/C13H14ClFN2S/c1-8-17-13(7-18-8)12(16-2)6-9-3-4-10(14)11(15)5-9/h3-5,7,12,16H,6H2,1-2H3
InChIKeyVXCNYFYEOUYEOH-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.75
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 107891595) has the molecular formula C13H14ClFN2S and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID107891595
Molecular FormulaC13H14ClFN2S
Molecular Weight284.79 g/mol
Exact Mass284.06
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)c(F)c1)c1csc(C)n1
InChIInChI=1S/C13H14ClFN2S/c1-8-17-13(7-18-8)12(16-2)6-9-3-4-10(14)11(15)5-9/h3-5,7,12,16H,6H2,1-2H3
InChIKeyVXCNYFYEOUYEOH-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-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-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103043281
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 114012748
2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105151834
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine
CID 105084395
2-(2-chloro-4-methylphenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106867910
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 107885005
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 107892575
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107891786
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105085899
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 107891595) is 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is CNC(Cc1ccc(Cl)c(F)c1)c1csc(C)n1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is VXCNYFYEOUYEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2S/c1-8-17-13(7-18-8)12(16-2)6-9-3-4-10(14)11(15)5-9/h3-5,7,12,16H,6H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 284.79 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 107891595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).