1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C14H17FN2S — CID 61287591

IUPAC1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(-c2ccc(C)c(F)c2)nc1C
InChIInChI=1S/C14H17FN2S/c1-8-5-6-11(7-12(8)15)14-17-10(3)13(18-14)9(2)16-4/h5-7,9,16H,1-4H3
InChIKeyFLCXJXYRPCLKCG-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.85
Rot. Bonds3

About 1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 61287591) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID61287591
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(-c2ccc(C)c(F)c2)nc1C
InChIInChI=1S/C14H17FN2S/c1-8-5-6-11(7-12(8)15)14-17-10(3)13(18-14)9(2)16-4/h5-7,9,16H,1-4H3
InChIKeyFLCXJXYRPCLKCG-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 61287591) is 1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(-c2ccc(C)c(F)c2)nc1C.
What is the InChIKey of 1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is FLCXJXYRPCLKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-8-5-6-11(7-12(8)15)14-17-10(3)13(18-14)9(2)16-4/h5-7,9,16H,1-4H3.
What are the key properties of 1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 61287591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).