2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine

C17H17FN2S2 — CID 53273515

IUPAC2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCc1ccsc1-c1cnc(CNCCc2cccc(F)c2)s1
InChIInChI=1S/C17H17FN2S2/c1-12-6-8-21-17(12)15-10-20-16(22-15)11-19-7-5-13-3-2-4-14(18)9-13/h2-4,6,8-10,19H,5,7,11H2,1H3
InChIKeyDEJXIDOEROOWMX-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.65
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine

2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 53273515) has the molecular formula C17H17FN2S2 and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID53273515
Molecular FormulaC17H17FN2S2
Molecular Weight332.47 g/mol
Exact Mass332.08
IUPAC Name2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCc1ccsc1-c1cnc(CNCCc2cccc(F)c2)s1
InChIInChI=1S/C17H17FN2S2/c1-12-6-8-21-17(12)15-10-20-16(22-15)11-19-7-5-13-3-2-4-14(18)9-13/h2-4,6,8-10,19H,5,7,11H2,1H3
InChIKeyDEJXIDOEROOWMX-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 53273515) is 2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine is Cc1ccsc1-c1cnc(CNCCc2cccc(F)c2)s1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is DEJXIDOEROOWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S2/c1-12-6-8-21-17(12)15-10-20-16(22-15)11-19-7-5-13-3-2-4-14(18)9-13/h2-4,6,8-10,19H,5,7,11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine?
2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 332.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 53273515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).