[(Z)-1-thiophen-2-ylethylideneamino]thiourea

C7H9N3S2 — CID 5375570

IUPAC[(Z)-1-thiophen-2-ylethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1cccs1
InChIInChI=1S/C7H9N3S2/c1-5(9-10-7(8)11)6-3-2-4-12-6/h2-4H,1H3,(H3,8,10,11)/b9-5-
InChIKeyPJVHAJJEMJNPHN-UITAMQMPSA-N
MW199.30 g/mol
LogP1.31
Rot. Bonds2

About [(Z)-1-thiophen-2-ylethylideneamino]thiourea

[(Z)-1-thiophen-2-ylethylideneamino]thiourea (PubChem CID 5375570) has the molecular formula C7H9N3S2 and a molecular weight of 199.30 g/mol. Its IUPAC name is [(Z)-1-thiophen-2-ylethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-thiophen-2-ylethylideneamino]thiourea
PubChem CID5375570
Molecular FormulaC7H9N3S2
Molecular Weight199.30 g/mol
Exact Mass199.02
IUPAC Name[(Z)-1-thiophen-2-ylethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1cccs1
InChIInChI=1S/C7H9N3S2/c1-5(9-10-7(8)11)6-3-2-4-12-6/h2-4H,1H3,(H3,8,10,11)/b9-5-
InChIKeyPJVHAJJEMJNPHN-UITAMQMPSA-N
XLogP1.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(Z)-1-thiophen-2-ylethylideneamino]thiourea 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 [(Z)-1-thiophen-2-ylethylideneamino]thiourea?
The IUPAC name of [(Z)-1-thiophen-2-ylethylideneamino]thiourea (CID 5375570) is [(Z)-1-thiophen-2-ylethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-thiophen-2-ylethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-thiophen-2-ylethylideneamino]thiourea is C/C(=N/NC(N)=S)c1cccs1.
What is the InChIKey of [(Z)-1-thiophen-2-ylethylideneamino]thiourea?
The InChIKey is PJVHAJJEMJNPHN-UITAMQMPSA-N. The full InChI is InChI=1S/C7H9N3S2/c1-5(9-10-7(8)11)6-3-2-4-12-6/h2-4H,1H3,(H3,8,10,11)/b9-5-.
What are the key properties of [(Z)-1-thiophen-2-ylethylideneamino]thiourea?
[(Z)-1-thiophen-2-ylethylideneamino]thiourea has a molecular weight of 199.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-thiophen-2-ylethylideneamino]thiourea is sourced from PubChem (CID 5375570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).