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

C6H8N4O2S — CID 141065921

IUPAC1-amino-3-(thiophene-2-carbonylamino)urea
SMILESNNC(=O)NNC(=O)c1cccs1
InChIInChI=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)
InChIKeyQNIHRRPJHVFOKZ-UHFFFAOYSA-N
MW200.22 g/mol
LogP-0.43
Rot. Bonds1

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 Name1-amino-3-(thiophene-2-carbonylamino)urea
PubChem CID141065921
Molecular FormulaC6H8N4O2S
Molecular Weight200.22 g/mol
Exact Mass200.04
IUPAC Name1-amino-3-(thiophene-2-carbonylamino)urea
SMILESNNC(=O)NNC(=O)c1cccs1
InChIInChI=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)
InChIKeyQNIHRRPJHVFOKZ-UHFFFAOYSA-N
XLogP-0.43
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
1-propyl-3-(thiophene-2-carbonylamino)urea
CID 2727799
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
N'-(4-methylsulfanylbenzoyl)thiophene-2-carbohydrazide
CID 8637772
2-oxo-N-phenyl-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
CID 171982887
N'-(1-phenylethenyl)thiophene-2-carbohydrazide
CID 2715132
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-sulfanylthiophene-2-carboxamide
CID 87476143
[1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea
CID 18164638
N-formylthiophene-2-carboxamide
CID 2771336
1-(4-bromophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 18708934

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).