1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea

C16H13N5OS — CID 135450794

IUPAC1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea
SMILESO=C(N/C(=N/c1ccccc1)c1cnns1)Nc1ccccc1
InChIInChI=1S/C16H13N5OS/c22-16(19-13-9-5-2-6-10-13)20-15(14-11-17-21-23-14)18-12-7-3-1-4-8-12/h1-11H,(H2,18,19,20,22)
InChIKeyVWRYRHLVPHDSSC-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.44
Rot. Bonds3

About 1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea

1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea (PubChem CID 135450794) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea
PubChem CID135450794
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea
SMILESO=C(N/C(=N/c1ccccc1)c1cnns1)Nc1ccccc1
InChIInChI=1S/C16H13N5OS/c22-16(19-13-9-5-2-6-10-13)20-15(14-11-17-21-23-14)18-12-7-3-1-4-8-12/h1-11H,(H2,18,19,20,22)
InChIKeyVWRYRHLVPHDSSC-UHFFFAOYSA-N
XLogP3.44
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea?
The IUPAC name of 1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea (CID 135450794) is 1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea.
What is the SMILES notation for 1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea?
The canonical SMILES for 1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea is O=C(N/C(=N/c1ccccc1)c1cnns1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea?
The InChIKey is VWRYRHLVPHDSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c22-16(19-13-9-5-2-6-10-13)20-15(14-11-17-21-23-14)18-12-7-3-1-4-8-12/h1-11H,(H2,18,19,20,22).
What are the key properties of 1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea?
1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea has a molecular weight of 323.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea is sourced from PubChem (CID 135450794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).