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

C12H10ClN3O2S — CID 719957

IUPAC1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea
SMILESO=C(NNC(=O)c1cccs1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10ClN3O2S/c13-8-3-1-4-9(7-8)14-12(18)16-15-11(17)10-5-2-6-19-10/h1-7H,(H,15,17)(H2,14,16,18)
InChIKeyWYDHONZWGITXDK-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.87
Rot. Bonds2

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

1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea (PubChem CID 719957) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea
PubChem CID719957
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea
SMILESO=C(NNC(=O)c1cccs1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10ClN3O2S/c13-8-3-1-4-9(7-8)14-12(18)16-15-11(17)10-5-2-6-19-10/h1-7H,(H,15,17)(H2,14,16,18)
InChIKeyWYDHONZWGITXDK-UHFFFAOYSA-N
XLogP2.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea 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 1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea (CID 719957) is 1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea is O=C(NNC(=O)c1cccs1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea?
The InChIKey is WYDHONZWGITXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c13-8-3-1-4-9(7-8)14-12(18)16-15-11(17)10-5-2-6-19-10/h1-7H,(H,15,17)(H2,14,16,18).
What are the key properties of 1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea?
1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea has a molecular weight of 295.75 g/mol, XLogP of 2.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(thiophene-2-carbonylamino)urea is sourced from PubChem (CID 719957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).