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

C12H12ClFN2S — CID 114012748

IUPAC2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)c(F)c1)c1cscn1
InChIInChI=1S/C12H12ClFN2S/c1-15-11(12-6-17-7-16-12)5-8-2-3-9(13)10(14)4-8/h2-4,6-7,11,15H,5H2,1H3
InChIKeyAABRSIGFMAAQPA-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.44
Rot. Bonds4

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

2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 114012748) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID114012748
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)c(F)c1)c1cscn1
InChIInChI=1S/C12H12ClFN2S/c1-15-11(12-6-17-7-16-12)5-8-2-3-9(13)10(14)4-8/h2-4,6-7,11,15H,5H2,1H3
InChIKeyAABRSIGFMAAQPA-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107891595
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 82922563
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
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 103040328
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107892172
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107891786
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1H-imidazol-2-yl)ethanamine
CID 114012745

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine (CID 114012748) is 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine is CNC(Cc1ccc(Cl)c(F)c1)c1cscn1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is AABRSIGFMAAQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-15-11(12-6-17-7-16-12)5-8-2-3-9(13)10(14)4-8/h2-4,6-7,11,15H,5H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine?
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 270.76 g/mol, XLogP of 3.44, 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-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 114012748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).