1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine

C15H13FN2OS — CID 60960476

IUPAC1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1ccc(-c2ccc(CNCc3nccs3)o2)cc1
InChIInChI=1S/C15H13FN2OS/c16-12-3-1-11(2-4-12)14-6-5-13(19-14)9-17-10-15-18-7-8-20-15/h1-8,17H,9-10H2
InChIKeyJHZRZKAOEPZHTI-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.83
Rot. Bonds5

About 1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine

1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 60960476) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID60960476
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1ccc(-c2ccc(CNCc3nccs3)o2)cc1
InChIInChI=1S/C15H13FN2OS/c16-12-3-1-11(2-4-12)14-6-5-13(19-14)9-17-10-15-18-7-8-20-15/h1-8,17H,9-10H2
InChIKeyJHZRZKAOEPZHTI-UHFFFAOYSA-N
XLogP3.83
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 60960476) is 1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is Fc1ccc(-c2ccc(CNCc3nccs3)o2)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is JHZRZKAOEPZHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-12-3-1-11(2-4-12)14-6-5-13(19-14)9-17-10-15-18-7-8-20-15/h1-8,17H,9-10H2.
What are the key properties of 1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 288.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 60960476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).