4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine

C16H10N2OS2 — CID 25181427

IUPAC4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine
SMILESc1ccc(/N=c2\ssnc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C16H10N2OS2/c1-2-7-12(8-3-1)17-16-15(18-21-20-16)14-10-11-6-4-5-9-13(11)19-14/h1-10H/b17-16-
InChIKeyKJTVSPQCYTUKSX-MSUUIHNZSA-N
MW310.40 g/mol
LogP4.85
Rot. Bonds2

About 4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine

4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine (PubChem CID 25181427) has the molecular formula C16H10N2OS2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine
PubChem CID25181427
Molecular FormulaC16H10N2OS2
Molecular Weight310.40 g/mol
Exact Mass310.02
IUPAC Name4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine
SMILESc1ccc(/N=c2\ssnc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C16H10N2OS2/c1-2-7-12(8-3-1)17-16-15(18-21-20-16)14-10-11-6-4-5-9-13(11)19-14/h1-10H/b17-16-
InChIKeyKJTVSPQCYTUKSX-MSUUIHNZSA-N
XLogP4.85
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine (CID 25181427) is 4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine is c1ccc(/N=c2\ssnc2-c2cc3ccccc3o2)cc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine?
The InChIKey is KJTVSPQCYTUKSX-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H10N2OS2/c1-2-7-12(8-3-1)17-16-15(18-21-20-16)14-10-11-6-4-5-9-13(11)19-14/h1-10H/b17-16-.
What are the key properties of 4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine?
4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine has a molecular weight of 310.40 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-phenyldithiazol-5-imine is sourced from PubChem (CID 25181427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).