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

C20H21FN2S — CID 69303689

IUPAC1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)cs1
InChIInChI=1S/C20H21FN2S/c1-13(19-12-24-20(23-19)14(2)22-3)16-9-10-17(18(21)11-16)15-7-5-4-6-8-15/h4-14,22H,1-3H3
InChIKeyCCNWHCHLMNUQQD-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.38
Rot. Bonds5

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

1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 69303689) has the molecular formula C20H21FN2S and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID69303689
Molecular FormulaC20H21FN2S
Molecular Weight340.47 g/mol
Exact Mass340.14
IUPAC Name1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)cs1
InChIInChI=1S/C20H21FN2S/c1-13(19-12-24-20(23-19)14(2)22-3)16-9-10-17(18(21)11-16)15-7-5-4-6-8-15/h4-14,22H,1-3H3
InChIKeyCCNWHCHLMNUQQD-UHFFFAOYSA-N
XLogP5.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine (CID 69303689) is 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine is CNC(C)c1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)cs1.
What is the InChIKey of 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is CCNWHCHLMNUQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2S/c1-13(19-12-24-20(23-19)14(2)22-3)16-9-10-17(18(21)11-16)15-7-5-4-6-8-15/h4-14,22H,1-3H3.
What are the key properties of 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine?
1-[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 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 69303689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).