1-amino-3-(thiophene-2-carbonylamino)urea

C₆H₈N₄O₂S — CID 141065921

About 1-amino-3-(thiophene-2-carbonylamino)urea

1-amino-3-(thiophene-2-carbonylamino)urea (PubChem CID 141065921) has the molecular formula C₆H₈N₄O₂S and a molecular weight of 200.22 g/mol. Its IUPAC name is 1-amino-3-(thiophene-2-carbonylamino)urea.

Molecular Properties

• Compound Name: 1-amino-3-(thiophene-2-carbonylamino)urea
• PubChem CID: 141065921
• Molecular Formula: C₆H₈N₄O₂S
• Molecular Weight: 200.22 g/mol
• Exact Mass: 200.04
• IUPAC Name: 1-amino-3-(thiophene-2-carbonylamino)urea
• SMILES: NNC(=O)NNC(=O)c1cccs1
• InChI: InChI=1S/C6H8N4O2S/c7-8-6(12)10-9-5(11)4-2-1-3-13-4/h1-3H,7H2,(H,9,11)(H2,8,10,12)
• InChIKey: QNIHRRPJHVFOKZ-UHFFFAOYSA-N
• XLogP: -0.43
• TPSA: 96.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.22
LogP ≤ 5	-0.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

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'}

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(thiophene-2-carbonylamino)urea?

The IUPAC name of 1-amino-3-(thiophene-2-carbonylamino)urea (CID 141065921) is 1-amino-3-(thiophene-2-carbonylamino)urea.

What is the SMILES notation for 1-amino-3-(thiophene-2-carbonylamino)urea?

The canonical SMILES for 1-amino-3-(thiophene-2-carbonylamino)urea is NNC(=O)NNC(=O)c1cccs1.

What is the InChIKey of 1-amino-3-(thiophene-2-carbonylamino)urea?

The InChIKey is QNIHRRPJHVFOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2S/c7-8-6(12)10-9-5(11)4-2-1-3-13-4/h1-3H,7H2,(H,9,11)(H2,8,10,12).

What are the key properties of 1-amino-3-(thiophene-2-carbonylamino)urea?

1-amino-3-(thiophene-2-carbonylamino)urea has a molecular weight of 200.22 g/mol, XLogP of -0.43, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-3-(thiophene-2-carbonylamino)urea is sourced from PubChem (CID 141065921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141065921 — identifiers, structure, computed properties (public domain)

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