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

C13H14ClFN2S — CID 107994603

IUPAC1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H14ClFN2S/c1-8-7-18-13(17-8)6-12(16-2)9-3-4-10(14)11(15)5-9/h3-5,7,12,16H,6H2,1-2H3
InChIKeyKQKCAVYSVMKCMR-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.75
Rot. Bonds4

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

1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 107994603) has the molecular formula C13H14ClFN2S and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID107994603
Molecular FormulaC13H14ClFN2S
Molecular Weight284.79 g/mol
Exact Mass284.06
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H14ClFN2S/c1-8-7-18-13(17-8)6-12(16-2)9-3-4-10(14)11(15)5-9/h3-5,7,12,16H,6H2,1-2H3
InChIKeyKQKCAVYSVMKCMR-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

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Related Compounds

1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 113337124
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107288871
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62796362
1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019377
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104686
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107992805
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
[1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326618
1-(4-chloro-3-fluorophenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107994783
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62796188
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
CID 62066014
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62797403

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 107994603) is 1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CNC(Cc1nc(C)cs1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is KQKCAVYSVMKCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2S/c1-8-7-18-13(17-8)6-12(16-2)9-3-4-10(14)11(15)5-9/h3-5,7,12,16H,6H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-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 1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 107994603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).