1-butyl-3-(thiophene-3-carbonylamino)thiourea

C10H15N3OS2 — CID 4092470

IUPAC1-butyl-3-(thiophene-3-carbonylamino)thiourea
SMILESCCCCNC(=S)NNC(=O)c1ccsc1
InChIInChI=1S/C10H15N3OS2/c1-2-3-5-11-10(15)13-12-9(14)8-4-6-16-7-8/h4,6-7H,2-3,5H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeySOPJDHUOBYFQDI-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.66
Rot. Bonds4

About 1-butyl-3-(thiophene-3-carbonylamino)thiourea

1-butyl-3-(thiophene-3-carbonylamino)thiourea (PubChem CID 4092470) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-butyl-3-(thiophene-3-carbonylamino)thiourea.

Molecular Properties

Compound Name1-butyl-3-(thiophene-3-carbonylamino)thiourea
PubChem CID4092470
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name1-butyl-3-(thiophene-3-carbonylamino)thiourea
SMILESCCCCNC(=S)NNC(=O)c1ccsc1
InChIInChI=1S/C10H15N3OS2/c1-2-3-5-11-10(15)13-12-9(14)8-4-6-16-7-8/h4,6-7H,2-3,5H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeySOPJDHUOBYFQDI-UHFFFAOYSA-N
XLogP1.66
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-3-(thiophene-3-carbonylamino)thiourea 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-butyl-3-(thiophene-3-carbonylamino)thiourea?
The IUPAC name of 1-butyl-3-(thiophene-3-carbonylamino)thiourea (CID 4092470) is 1-butyl-3-(thiophene-3-carbonylamino)thiourea.
What is the SMILES notation for 1-butyl-3-(thiophene-3-carbonylamino)thiourea?
The canonical SMILES for 1-butyl-3-(thiophene-3-carbonylamino)thiourea is CCCCNC(=S)NNC(=O)c1ccsc1.
What is the InChIKey of 1-butyl-3-(thiophene-3-carbonylamino)thiourea?
The InChIKey is SOPJDHUOBYFQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-2-3-5-11-10(15)13-12-9(14)8-4-6-16-7-8/h4,6-7H,2-3,5H2,1H3,(H,12,14)(H2,11,13,15).
What are the key properties of 1-butyl-3-(thiophene-3-carbonylamino)thiourea?
1-butyl-3-(thiophene-3-carbonylamino)thiourea has a molecular weight of 257.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(thiophene-3-carbonylamino)thiourea is sourced from PubChem (CID 4092470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).