1-phenyl-3-[(2-phenylacetyl)amino]thiourea

C15H15N3OS — CID 722757

IUPAC1-phenyl-3-[(2-phenylacetyl)amino]thiourea
SMILESO=C(Cc1ccccc1)NNC(=S)Nc1ccccc1
InChIInChI=1S/C15H15N3OS/c19-14(11-12-7-3-1-4-8-12)17-18-15(20)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19)(H2,16,18,20)
InChIKeyXTVJYOVFEYXZQK-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.25
Rot. Bonds3

About 1-phenyl-3-[(2-phenylacetyl)amino]thiourea

1-phenyl-3-[(2-phenylacetyl)amino]thiourea (PubChem CID 722757) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-phenyl-3-[(2-phenylacetyl)amino]thiourea.

Molecular Properties

Compound Name1-phenyl-3-[(2-phenylacetyl)amino]thiourea
PubChem CID722757
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-phenyl-3-[(2-phenylacetyl)amino]thiourea
SMILESO=C(Cc1ccccc1)NNC(=S)Nc1ccccc1
InChIInChI=1S/C15H15N3OS/c19-14(11-12-7-3-1-4-8-12)17-18-15(20)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19)(H2,16,18,20)
InChIKeyXTVJYOVFEYXZQK-UHFFFAOYSA-N
XLogP2.25
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[(2-phenylacetyl)amino]thiourea?
The IUPAC name of 1-phenyl-3-[(2-phenylacetyl)amino]thiourea (CID 722757) is 1-phenyl-3-[(2-phenylacetyl)amino]thiourea.
What is the SMILES notation for 1-phenyl-3-[(2-phenylacetyl)amino]thiourea?
The canonical SMILES for 1-phenyl-3-[(2-phenylacetyl)amino]thiourea is O=C(Cc1ccccc1)NNC(=S)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(2-phenylacetyl)amino]thiourea?
The InChIKey is XTVJYOVFEYXZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-14(11-12-7-3-1-4-8-12)17-18-15(20)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19)(H2,16,18,20).
What are the key properties of 1-phenyl-3-[(2-phenylacetyl)amino]thiourea?
1-phenyl-3-[(2-phenylacetyl)amino]thiourea has a molecular weight of 285.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(2-phenylacetyl)amino]thiourea is sourced from PubChem (CID 722757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).