1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine

C12H13FN2S — CID 3644420

IUPAC1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(-c2ccccc2F)cs1
InChIInChI=1S/C12H13FN2S/c1-8(14-2)12-15-11(7-16-12)9-5-3-4-6-10(9)13/h3-8,14H,1-2H3
InChIKeyMHAGKEZVZNMIIC-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.23
Rot. Bonds3

About 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine

1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 3644420) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID3644420
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(-c2ccccc2F)cs1
InChIInChI=1S/C12H13FN2S/c1-8(14-2)12-15-11(7-16-12)9-5-3-4-6-10(9)13/h3-8,14H,1-2H3
InChIKeyMHAGKEZVZNMIIC-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4984856
1-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3890343
1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4613320
1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5137111
1-[4-(4-ethoxy-3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3616998
1-[4-(5-chloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5239205
1-[4-(5-bromo-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3334152
1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4308987
4-(2-fluorophenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264886
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 62647488
1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine
CID 116867670
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 3644420) is 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine is CNC(C)c1nc(-c2ccccc2F)cs1.
What is the InChIKey of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is MHAGKEZVZNMIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8(14-2)12-15-11(7-16-12)9-5-3-4-6-10(9)13/h3-8,14H,1-2H3.
What are the key properties of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 236.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 3644420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).