4-(furan-2-yl)-N-phenyldithiazol-5-imine

C12H8N2OS2 — CID 44569426

IUPAC4-(furan-2-yl)-N-phenyldithiazol-5-imine
SMILESc1ccc(/N=c2\ssnc2-c2ccco2)cc1
InChIInChI=1S/C12H8N2OS2/c1-2-5-9(6-3-1)13-12-11(14-17-16-12)10-7-4-8-15-10/h1-8H/b13-12-
InChIKeyURIRLRZYFLPLMO-SEYXRHQNSA-N
MW260.34 g/mol
LogP3.70
Rot. Bonds2

About 4-(furan-2-yl)-N-phenyldithiazol-5-imine

4-(furan-2-yl)-N-phenyldithiazol-5-imine (PubChem CID 44569426) has the molecular formula C12H8N2OS2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-phenyldithiazol-5-imine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-phenyldithiazol-5-imine
PubChem CID44569426
Molecular FormulaC12H8N2OS2
Molecular Weight260.34 g/mol
Exact Mass260.01
IUPAC Name4-(furan-2-yl)-N-phenyldithiazol-5-imine
SMILESc1ccc(/N=c2\ssnc2-c2ccco2)cc1
InChIInChI=1S/C12H8N2OS2/c1-2-5-9(6-3-1)13-12-11(14-17-16-12)10-7-4-8-15-10/h1-8H/b13-12-
InChIKeyURIRLRZYFLPLMO-SEYXRHQNSA-N
XLogP3.70
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(furan-2-yl)-N-phenyldithiazol-5-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-phenyldithiazol-5-imine?
The IUPAC name of 4-(furan-2-yl)-N-phenyldithiazol-5-imine (CID 44569426) is 4-(furan-2-yl)-N-phenyldithiazol-5-imine.
What is the SMILES notation for 4-(furan-2-yl)-N-phenyldithiazol-5-imine?
The canonical SMILES for 4-(furan-2-yl)-N-phenyldithiazol-5-imine is c1ccc(/N=c2\ssnc2-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)-N-phenyldithiazol-5-imine?
The InChIKey is URIRLRZYFLPLMO-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H8N2OS2/c1-2-5-9(6-3-1)13-12-11(14-17-16-12)10-7-4-8-15-10/h1-8H/b13-12-.
What are the key properties of 4-(furan-2-yl)-N-phenyldithiazol-5-imine?
4-(furan-2-yl)-N-phenyldithiazol-5-imine has a molecular weight of 260.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-phenyldithiazol-5-imine is sourced from PubChem (CID 44569426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).