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

C13H12N4OS — CID 5380527

IUPAC1-phenyl-3-(pyridine-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1ccccn1
InChIInChI=1S/C13H12N4OS/c18-12(11-8-4-5-9-14-11)16-17-13(19)15-10-6-2-1-3-7-10/h1-9H,(H,16,18)(H2,15,17,19)
InChIKeyJJHSYWHPMJELRP-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.71
Rot. Bonds2

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

1-phenyl-3-(pyridine-2-carbonylamino)thiourea (PubChem CID 5380527) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-phenyl-3-(pyridine-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-phenyl-3-(pyridine-2-carbonylamino)thiourea
PubChem CID5380527
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name1-phenyl-3-(pyridine-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1ccccn1
InChIInChI=1S/C13H12N4OS/c18-12(11-8-4-5-9-14-11)16-17-13(19)15-10-6-2-1-3-7-10/h1-9H,(H,16,18)(H2,15,17,19)
InChIKeyJJHSYWHPMJELRP-UHFFFAOYSA-N
XLogP1.71
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.71
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'}

Analyze 1-phenyl-3-(pyridine-2-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-phenyl-3-(pyridine-2-carbonylamino)thiourea?
The IUPAC name of 1-phenyl-3-(pyridine-2-carbonylamino)thiourea (CID 5380527) is 1-phenyl-3-(pyridine-2-carbonylamino)thiourea.
What is the SMILES notation for 1-phenyl-3-(pyridine-2-carbonylamino)thiourea?
The canonical SMILES for 1-phenyl-3-(pyridine-2-carbonylamino)thiourea is O=C(NNC(=S)Nc1ccccc1)c1ccccn1.
What is the InChIKey of 1-phenyl-3-(pyridine-2-carbonylamino)thiourea?
The InChIKey is JJHSYWHPMJELRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c18-12(11-8-4-5-9-14-11)16-17-13(19)15-10-6-2-1-3-7-10/h1-9H,(H,16,18)(H2,15,17,19).
What are the key properties of 1-phenyl-3-(pyridine-2-carbonylamino)thiourea?
1-phenyl-3-(pyridine-2-carbonylamino)thiourea has a molecular weight of 272.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(pyridine-2-carbonylamino)thiourea is sourced from PubChem (CID 5380527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).