3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine

C18H14N2OS2 — CID 23883340

IUPAC3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESc1ccc(/N=c2\scc(-c3cccs3)n2Cc2ccco2)cc1
InChIInChI=1S/C18H14N2OS2/c1-2-6-14(7-3-1)19-18-20(12-15-8-4-10-21-15)16(13-23-18)17-9-5-11-22-17/h1-11,13H,12H2/b19-18-
InChIKeyBFDILURBDHUXFQ-HNENSFHCSA-N
MW338.46 g/mol
LogP5.15
Rot. Bonds4

About 3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23883340) has the molecular formula C18H14N2OS2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23883340
Molecular FormulaC18H14N2OS2
Molecular Weight338.46 g/mol
Exact Mass338.05
IUPAC Name3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESc1ccc(/N=c2\scc(-c3cccs3)n2Cc2ccco2)cc1
InChIInChI=1S/C18H14N2OS2/c1-2-6-14(7-3-1)19-18-20(12-15-8-4-10-21-15)16(13-23-18)17-9-5-11-22-17/h1-11,13H,12H2/b19-18-
InChIKeyBFDILURBDHUXFQ-HNENSFHCSA-N
XLogP5.15
TPSA30.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23883340) is 3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine is c1ccc(/N=c2\scc(-c3cccs3)n2Cc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is BFDILURBDHUXFQ-HNENSFHCSA-N. The full InChI is InChI=1S/C18H14N2OS2/c1-2-6-14(7-3-1)19-18-20(12-15-8-4-10-21-15)16(13-23-18)17-9-5-11-22-17/h1-11,13H,12H2/b19-18-.
What are the key properties of 3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 338.46 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23883340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).