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

C15H13FN2OS — CID 53272184

IUPAC1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESFc1ccc(CNCc2ncc(-c3ccco3)s2)cc1
InChIInChI=1S/C15H13FN2OS/c16-12-5-3-11(4-6-12)8-17-10-15-18-9-14(20-15)13-2-1-7-19-13/h1-7,9,17H,8,10H2
InChIKeyKHLUSIJSEYSWBT-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.83
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 53272184) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID53272184
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESFc1ccc(CNCc2ncc(-c3ccco3)s2)cc1
InChIInChI=1S/C15H13FN2OS/c16-12-5-3-11(4-6-12)8-17-10-15-18-9-14(20-15)13-2-1-7-19-13/h1-7,9,17H,8,10H2
InChIKeyKHLUSIJSEYSWBT-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-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine (CID 53272184) is 1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine is Fc1ccc(CNCc2ncc(-c3ccco3)s2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is KHLUSIJSEYSWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-12-5-3-11(4-6-12)8-17-10-15-18-9-14(20-15)13-2-1-7-19-13/h1-7,9,17H,8,10H2.
What are the key properties of 1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]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-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 53272184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).