N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine

C20H19FN2S — CID 5271004

IUPACN-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)Cc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H19FN2S/c1-3-12-23(2)13-15-4-6-16(7-5-15)19-14-24-20(22-19)17-8-10-18(21)11-9-17/h3-11,14H,1,12-13H2,2H3
InChIKeyPEFPAHUTSLINQM-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.23
Rot. Bonds6

About N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine

N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine (PubChem CID 5271004) has the molecular formula C20H19FN2S and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine
PubChem CID5271004
Molecular FormulaC20H19FN2S
Molecular Weight338.45 g/mol
Exact Mass338.13
IUPAC NameN-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)Cc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H19FN2S/c1-3-12-23(2)13-15-4-6-16(7-5-15)19-14-24-20(22-19)17-8-10-18(21)11-9-17/h3-11,14H,1,12-13H2,2H3
InChIKeyPEFPAHUTSLINQM-UHFFFAOYSA-N
XLogP5.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine (CID 5271004) is N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine is C=CCN(C)Cc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine?
The InChIKey is PEFPAHUTSLINQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2S/c1-3-12-23(2)13-15-4-6-16(7-5-15)19-14-24-20(22-19)17-8-10-18(21)11-9-17/h3-11,14H,1,12-13H2,2H3.
What are the key properties of N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine?
N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine has a molecular weight of 338.45 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 5271004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).