3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile

C15H13N5S — CID 126512718

IUPAC3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile
SMILESCNc1ccc(/N=N/c2sc(C#N)c(C)c2C#N)c(C)c1
InChIInChI=1S/C15H13N5S/c1-9-6-11(18-3)4-5-13(9)19-20-15-12(7-16)10(2)14(8-17)21-15/h4-6,18H,1-3H3/b20-19+
InChIKeyUWGOWPVLBXDRQJ-FMQUCBEESA-N
MW295.37 g/mol
LogP4.57
Rot. Bonds3

About 3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile

3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile (PubChem CID 126512718) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile
PubChem CID126512718
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile
SMILESCNc1ccc(/N=N/c2sc(C#N)c(C)c2C#N)c(C)c1
InChIInChI=1S/C15H13N5S/c1-9-6-11(18-3)4-5-13(9)19-20-15-12(7-16)10(2)14(8-17)21-15/h4-6,18H,1-3H3/b20-19+
InChIKeyUWGOWPVLBXDRQJ-FMQUCBEESA-N
XLogP4.57
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile (CID 126512718) is 3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile is CNc1ccc(/N=N/c2sc(C#N)c(C)c2C#N)c(C)c1.
What is the InChIKey of 3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile?
The InChIKey is UWGOWPVLBXDRQJ-FMQUCBEESA-N. The full InChI is InChI=1S/C15H13N5S/c1-9-6-11(18-3)4-5-13(9)19-20-15-12(7-16)10(2)14(8-17)21-15/h4-6,18H,1-3H3/b20-19+.
What are the key properties of 3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile?
3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile has a molecular weight of 295.37 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-methyl-4-(methylamino)phenyl]diazenyl]thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 126512718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).