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

C15H13FN2OS — CID 53272204

IUPACN-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1ccc(-c2cnc(CNCc3ccco3)s2)cc1
InChIInChI=1S/C15H13FN2OS/c16-12-5-3-11(4-6-12)14-9-18-15(20-14)10-17-8-13-2-1-7-19-13/h1-7,9,17H,8,10H2
InChIKeyZVYDICXCCNXOOG-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.83
Rot. Bonds5

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

N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 53272204) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID53272204
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC NameN-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1ccc(-c2cnc(CNCc3ccco3)s2)cc1
InChIInChI=1S/C15H13FN2OS/c16-12-5-3-11(4-6-12)14-9-18-15(20-14)10-17-8-13-2-1-7-19-13/h1-7,9,17H,8,10H2
InChIKeyZVYDICXCCNXOOG-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 N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine (CID 53272204) is N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine is Fc1ccc(-c2cnc(CNCc3ccco3)s2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is ZVYDICXCCNXOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-12-5-3-11(4-6-12)14-9-18-15(20-14)10-17-8-13-2-1-7-19-13/h1-7,9,17H,8,10H2.
What are the key properties of N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)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 N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 53272204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).