(2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile

C7H5N3OS — CID 177341652

IUPAC(2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile
SMILESN#C/C(=N/N)C(=O)c1cccs1
InChIInChI=1S/C7H5N3OS/c8-4-5(10-9)7(11)6-2-1-3-12-6/h1-3H,9H2/b10-5-
InChIKeyMQZCELLMOFLFBP-YHYXMXQVSA-N
MW179.20 g/mol
LogP0.77
Rot. Bonds2

About (2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile

(2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile (PubChem CID 177341652) has the molecular formula C7H5N3OS and a molecular weight of 179.20 g/mol. Its IUPAC name is (2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile.

Molecular Properties

Compound Name(2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile
PubChem CID177341652
Molecular FormulaC7H5N3OS
Molecular Weight179.20 g/mol
Exact Mass179.02
IUPAC Name(2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile
SMILESN#C/C(=N/N)C(=O)c1cccs1
InChIInChI=1S/C7H5N3OS/c8-4-5(10-9)7(11)6-2-1-3-12-6/h1-3H,9H2/b10-5-
InChIKeyMQZCELLMOFLFBP-YHYXMXQVSA-N
XLogP0.77
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

N-(dicyanomethyl)thiophene-2-carboxamide
CID 22299074
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide
CID 2746671
N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 710672
N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 82120465
2,3-dimethyl-1-thiophen-2-ylbut-2-en-1-one
CID 131801030
2-phenyl-1-thiophen-2-ylprop-2-en-1-one
CID 3007406
(E)-3-(pyrimidin-2-ylamino)-2-(thiophene-2-carbonyl)prop-2-enenitrile
CID 2819157
ethene;2-(1-thiophen-2-ylethenyl)thiophene
CID 174797517
2-[1-(3-oxo-3-thiophen-2-ylprop-1-en-2-yl)-2-pyridinylidene]propanedinitrile
CID 170265376
3-[[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]amino]-2-(thiophene-2-carbonyl)prop-2-enenitrile
CID 3806246
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile?
The IUPAC name of (2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile (CID 177341652) is (2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile.
What is the SMILES notation for (2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile?
The canonical SMILES for (2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile is N#C/C(=N/N)C(=O)c1cccs1.
What is the InChIKey of (2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile?
The InChIKey is MQZCELLMOFLFBP-YHYXMXQVSA-N. The full InChI is InChI=1S/C7H5N3OS/c8-4-5(10-9)7(11)6-2-1-3-12-6/h1-3H,9H2/b10-5-.
What are the key properties of (2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile?
(2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile has a molecular weight of 179.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile is sourced from PubChem (CID 177341652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).