5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide

C11H8N6OS — CID 112595889

IUPAC5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESN#Cc1ncn(Cc2ccc(C(=O)NN)s2)c1C#N
InChIInChI=1S/C11H8N6OS/c12-3-8-9(4-13)17(6-15-8)5-7-1-2-10(19-7)11(18)16-14/h1-2,6H,5,14H2,(H,16,18)
InChIKeyUBUBWBOGMHOSCU-UHFFFAOYSA-N
MW272.29 g/mol
LogP0.34
Rot. Bonds3

About 5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide

5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 112595889) has the molecular formula C11H8N6OS and a molecular weight of 272.29 g/mol. Its IUPAC name is 5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID112595889
Molecular FormulaC11H8N6OS
Molecular Weight272.29 g/mol
Exact Mass272.05
IUPAC Name5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESN#Cc1ncn(Cc2ccc(C(=O)NN)s2)c1C#N
InChIInChI=1S/C11H8N6OS/c12-3-8-9(4-13)17(6-15-8)5-7-1-2-10(19-7)11(18)16-14/h1-2,6H,5,14H2,(H,16,18)
InChIKeyUBUBWBOGMHOSCU-UHFFFAOYSA-N
XLogP0.34
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 112595905
3-bromo-4-[(4,5-dicyanoimidazol-1-yl)methyl]benzohydrazide
CID 102774894
5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63578955
5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide
CID 63580583
5-[(6-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63795798
5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55249100
5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63577211
methyl 3-[(4,5-dicyanoimidazol-1-yl)methyl]furan-2-carboxylate
CID 86784941
5-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 80582932
5-cyanothiophene-2-carbohydrazide
CID 141367085
1-prop-2-ynylimidazole-4,5-dicarbonitrile
CID 112595691
1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595414

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide (CID 112595889) is 5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide is N#Cc1ncn(Cc2ccc(C(=O)NN)s2)c1C#N.
What is the InChIKey of 5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is UBUBWBOGMHOSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6OS/c12-3-8-9(4-13)17(6-15-8)5-7-1-2-10(19-7)11(18)16-14/h1-2,6H,5,14H2,(H,16,18).
What are the key properties of 5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide?
5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 272.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 112595889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).