[(Z)-thiophen-2-ylmethylideneamino]urea

C6H7N3OS — CID 5370111

IUPAC[(Z)-thiophen-2-ylmethylideneamino]urea
SMILESNC(=O)N/N=C\c1cccs1
InChIInChI=1S/C6H7N3OS/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4-
InChIKeyWAZNQENKQABSNN-YWEYNIOJSA-N
MW169.21 g/mol
LogP0.75
Rot. Bonds2

About [(Z)-thiophen-2-ylmethylideneamino]urea

[(Z)-thiophen-2-ylmethylideneamino]urea (PubChem CID 5370111) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is [(Z)-thiophen-2-ylmethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-thiophen-2-ylmethylideneamino]urea
PubChem CID5370111
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name[(Z)-thiophen-2-ylmethylideneamino]urea
SMILESNC(=O)N/N=C\c1cccs1
InChIInChI=1S/C6H7N3OS/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4-
InChIKeyWAZNQENKQABSNN-YWEYNIOJSA-N
XLogP0.75
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.75
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'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-thiophen-2-ylmethylideneamino]urea?
The IUPAC name of [(Z)-thiophen-2-ylmethylideneamino]urea (CID 5370111) is [(Z)-thiophen-2-ylmethylideneamino]urea.
What is the SMILES notation for [(Z)-thiophen-2-ylmethylideneamino]urea?
The canonical SMILES for [(Z)-thiophen-2-ylmethylideneamino]urea is NC(=O)N/N=C\c1cccs1.
What is the InChIKey of [(Z)-thiophen-2-ylmethylideneamino]urea?
The InChIKey is WAZNQENKQABSNN-YWEYNIOJSA-N. The full InChI is InChI=1S/C6H7N3OS/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4-.
What are the key properties of [(Z)-thiophen-2-ylmethylideneamino]urea?
[(Z)-thiophen-2-ylmethylideneamino]urea has a molecular weight of 169.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-thiophen-2-ylmethylideneamino]urea is sourced from PubChem (CID 5370111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).