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

C14H17FN2OS — CID 81305150

IUPAC1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(-c2ccc(OC)cc2F)nc1C
InChIInChI=1S/C14H17FN2OS/c1-8(16-3)13-9(2)17-14(19-13)11-6-5-10(18-4)7-12(11)15/h5-8,16H,1-4H3
InChIKeyRGWPCMYQUDFMNK-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.55
Rot. Bonds4

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

1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 81305150) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID81305150
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(-c2ccc(OC)cc2F)nc1C
InChIInChI=1S/C14H17FN2OS/c1-8(16-3)13-9(2)17-14(19-13)11-6-5-10(18-4)7-12(11)15/h5-8,16H,1-4H3
InChIKeyRGWPCMYQUDFMNK-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 81305150) is 1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(-c2ccc(OC)cc2F)nc1C.
What is the InChIKey of 1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is RGWPCMYQUDFMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-8(16-3)13-9(2)17-14(19-13)11-6-5-10(18-4)7-12(11)15/h5-8,16H,1-4H3.
What are the key properties of 1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 81305150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).