(1-benzothiophene-2-carbonylamino)urea

C10H9N3O2S — CID 57488392

IUPAC(1-benzothiophene-2-carbonylamino)urea
SMILESNC(=O)NNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C10H9N3O2S/c11-10(15)13-12-9(14)8-5-6-3-1-2-4-7(6)16-8/h1-5H,(H,12,14)(H3,11,13,15)
InChIKeyFPLFLYAKNRRBNK-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.21
Rot. Bonds1

About (1-benzothiophene-2-carbonylamino)urea

(1-benzothiophene-2-carbonylamino)urea (PubChem CID 57488392) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is (1-benzothiophene-2-carbonylamino)urea.

Molecular Properties

Compound Name(1-benzothiophene-2-carbonylamino)urea
PubChem CID57488392
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name(1-benzothiophene-2-carbonylamino)urea
SMILESNC(=O)NNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C10H9N3O2S/c11-10(15)13-12-9(14)8-5-6-3-1-2-4-7(6)16-8/h1-5H,(H,12,14)(H3,11,13,15)
InChIKeyFPLFLYAKNRRBNK-UHFFFAOYSA-N
XLogP1.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-benzothiophene-2-carbonylamino)urea?
The IUPAC name of (1-benzothiophene-2-carbonylamino)urea (CID 57488392) is (1-benzothiophene-2-carbonylamino)urea.
What is the SMILES notation for (1-benzothiophene-2-carbonylamino)urea?
The canonical SMILES for (1-benzothiophene-2-carbonylamino)urea is NC(=O)NNC(=O)c1cc2ccccc2s1.
What is the InChIKey of (1-benzothiophene-2-carbonylamino)urea?
The InChIKey is FPLFLYAKNRRBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c11-10(15)13-12-9(14)8-5-6-3-1-2-4-7(6)16-8/h1-5H,(H,12,14)(H3,11,13,15).
What are the key properties of (1-benzothiophene-2-carbonylamino)urea?
(1-benzothiophene-2-carbonylamino)urea has a molecular weight of 235.27 g/mol, XLogP of 1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzothiophene-2-carbonylamino)urea is sourced from PubChem (CID 57488392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).