4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine

C19H14N2OS — CID 58910744

IUPAC4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(-c3ccc(-c4ccoc4)cc3)cs2)cc1
InChIInChI=1S/C19H14N2OS/c1-2-4-17(5-3-1)20-19-21-18(13-23-19)15-8-6-14(7-9-15)16-10-11-22-12-16/h1-13H,(H,20,21)
InChIKeyQUEHRXPXBXCASV-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.81
Rot. Bonds4

About 4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine

4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 58910744) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID58910744
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(-c3ccc(-c4ccoc4)cc3)cs2)cc1
InChIInChI=1S/C19H14N2OS/c1-2-4-17(5-3-1)20-19-21-18(13-23-19)15-8-6-14(7-9-15)16-10-11-22-12-16/h1-13H,(H,20,21)
InChIKeyQUEHRXPXBXCASV-UHFFFAOYSA-N
XLogP5.81
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine (CID 58910744) is 4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine is c1ccc(Nc2nc(-c3ccc(-c4ccoc4)cc3)cs2)cc1.
What is the InChIKey of 4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is QUEHRXPXBXCASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-2-4-17(5-3-1)20-19-21-18(13-23-19)15-8-6-14(7-9-15)16-10-11-22-12-16/h1-13H,(H,20,21).
What are the key properties of 4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine?
4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 318.40 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 58910744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).