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

C16H21FN2S — CID 64770334

IUPAC1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(C(C)(C)c2ccc(F)cc2)nc1C
InChIInChI=1S/C16H21FN2S/c1-10(18-5)14-11(2)19-15(20-14)16(3,4)12-6-8-13(17)9-7-12/h6-10,18H,1-5H3
InChIKeyWKVKZMZSAOSQJK-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.20
Rot. Bonds4

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

1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 64770334) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID64770334
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(C(C)(C)c2ccc(F)cc2)nc1C
InChIInChI=1S/C16H21FN2S/c1-10(18-5)14-11(2)19-15(20-14)16(3,4)12-6-8-13(17)9-7-12/h6-10,18H,1-5H3
InChIKeyWKVKZMZSAOSQJK-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 64770334) is 1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(C(C)(C)c2ccc(F)cc2)nc1C.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is WKVKZMZSAOSQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-10(18-5)14-11(2)19-15(20-14)16(3,4)12-6-8-13(17)9-7-12/h6-10,18H,1-5H3.
What are the key properties of 1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 292.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 64770334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).