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

C16H15FN2OS — CID 53272219

IUPAC2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESFc1cccc(CCNCc2ncc(-c3ccco3)s2)c1
InChIInChI=1S/C16H15FN2OS/c17-13-4-1-3-12(9-13)6-7-18-11-16-19-10-15(21-16)14-5-2-8-20-14/h1-5,8-10,18H,6-7,11H2
InChIKeyHVGWIUYWLZMFHE-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.87
Rot. Bonds6

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

2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 53272219) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID53272219
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESFc1cccc(CCNCc2ncc(-c3ccco3)s2)c1
InChIInChI=1S/C16H15FN2OS/c17-13-4-1-3-12(9-13)6-7-18-11-16-19-10-15(21-16)14-5-2-8-20-14/h1-5,8-10,18H,6-7,11H2
InChIKeyHVGWIUYWLZMFHE-UHFFFAOYSA-N
XLogP3.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.87
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-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 53272219) is 2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine is Fc1cccc(CCNCc2ncc(-c3ccco3)s2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is HVGWIUYWLZMFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c17-13-4-1-3-12(9-13)6-7-18-11-16-19-10-15(21-16)14-5-2-8-20-14/h1-5,8-10,18H,6-7,11H2.
What are the key properties of 2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine?
2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 302.37 g/mol, XLogP of 3.87, 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-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 53272219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).