1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine

C12H12ClFN2S — CID 62651174

IUPAC1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2c(F)cccc2Cl)s1
InChIInChI=1S/C12H12ClFN2S/c1-7(15-2)10-6-16-12(17-10)11-8(13)4-3-5-9(11)14/h3-7,15H,1-2H3
InChIKeyMNBOSTJMJSSRKL-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.88
Rot. Bonds3

About 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 62651174) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID62651174
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2c(F)cccc2Cl)s1
InChIInChI=1S/C12H12ClFN2S/c1-7(15-2)10-6-16-12(17-10)11-8(13)4-3-5-9(11)14/h3-7,15H,1-2H3
InChIKeyMNBOSTJMJSSRKL-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 62651174) is 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1cnc(-c2c(F)cccc2Cl)s1.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is MNBOSTJMJSSRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-7(15-2)10-6-16-12(17-10)11-8(13)4-3-5-9(11)14/h3-7,15H,1-2H3.
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 270.76 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 62651174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).