1-phenyl-3-(thiophene-2-carbonylamino)thiourea

C12H11N3OS2 — CID 848905

IUPAC1-phenyl-3-(thiophene-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1cccs1
InChIInChI=1S/C12H11N3OS2/c16-11(10-7-4-8-18-10)14-15-12(17)13-9-5-2-1-3-6-9/h1-8H,(H,14,16)(H2,13,15,17)
InChIKeyHNOZXLPXQCPGFX-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.38
Rot. Bonds2

About 1-phenyl-3-(thiophene-2-carbonylamino)thiourea

1-phenyl-3-(thiophene-2-carbonylamino)thiourea (PubChem CID 848905) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-phenyl-3-(thiophene-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-phenyl-3-(thiophene-2-carbonylamino)thiourea
PubChem CID848905
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name1-phenyl-3-(thiophene-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1cccs1
InChIInChI=1S/C12H11N3OS2/c16-11(10-7-4-8-18-10)14-15-12(17)13-9-5-2-1-3-6-9/h1-8H,(H,14,16)(H2,13,15,17)
InChIKeyHNOZXLPXQCPGFX-UHFFFAOYSA-N
XLogP2.38
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(thiophene-2-carbonylamino)thiourea?
The IUPAC name of 1-phenyl-3-(thiophene-2-carbonylamino)thiourea (CID 848905) is 1-phenyl-3-(thiophene-2-carbonylamino)thiourea.
What is the SMILES notation for 1-phenyl-3-(thiophene-2-carbonylamino)thiourea?
The canonical SMILES for 1-phenyl-3-(thiophene-2-carbonylamino)thiourea is O=C(NNC(=S)Nc1ccccc1)c1cccs1.
What is the InChIKey of 1-phenyl-3-(thiophene-2-carbonylamino)thiourea?
The InChIKey is HNOZXLPXQCPGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c16-11(10-7-4-8-18-10)14-15-12(17)13-9-5-2-1-3-6-9/h1-8H,(H,14,16)(H2,13,15,17).
What are the key properties of 1-phenyl-3-(thiophene-2-carbonylamino)thiourea?
1-phenyl-3-(thiophene-2-carbonylamino)thiourea has a molecular weight of 277.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(thiophene-2-carbonylamino)thiourea is sourced from PubChem (CID 848905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).