2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine

C20H21FN2S — CID 69303690

IUPAC2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)cs1
InChIInChI=1S/C20H21FN2S/c1-14(19-13-24-20(23-19)10-11-22-2)16-8-9-17(18(21)12-16)15-6-4-3-5-7-15/h3-9,12-14,22H,10-11H2,1-2H3
InChIKeyDULJLUVPCBWREU-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.86
Rot. Bonds6

About 2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine

2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 69303690) has the molecular formula C20H21FN2S and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID69303690
Molecular FormulaC20H21FN2S
Molecular Weight340.47 g/mol
Exact Mass340.14
IUPAC Name2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)cs1
InChIInChI=1S/C20H21FN2S/c1-14(19-13-24-20(23-19)10-11-22-2)16-8-9-17(18(21)12-16)15-6-4-3-5-7-15/h3-9,12-14,22H,10-11H2,1-2H3
InChIKeyDULJLUVPCBWREU-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine (CID 69303690) is 2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine is CNCCc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)cs1.
What is the InChIKey of 2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is DULJLUVPCBWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2S/c1-14(19-13-24-20(23-19)10-11-22-2)16-8-9-17(18(21)12-16)15-6-4-3-5-7-15/h3-9,12-14,22H,10-11H2,1-2H3.
What are the key properties of 2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine?
2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 340.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 69303690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).