5-(N-phenylanilino)thiadiazole-4-carbonitrile

C15H10N4S — CID 146169923

IUPAC5-(N-phenylanilino)thiadiazole-4-carbonitrile
SMILESN#Cc1nnsc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H10N4S/c16-11-14-15(20-18-17-14)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKeyHHEWOSKYAIMNMO-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.88
Rot. Bonds3

About 5-(N-phenylanilino)thiadiazole-4-carbonitrile

5-(N-phenylanilino)thiadiazole-4-carbonitrile (PubChem CID 146169923) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-(N-phenylanilino)thiadiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(N-phenylanilino)thiadiazole-4-carbonitrile
PubChem CID146169923
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name5-(N-phenylanilino)thiadiazole-4-carbonitrile
SMILESN#Cc1nnsc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H10N4S/c16-11-14-15(20-18-17-14)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKeyHHEWOSKYAIMNMO-UHFFFAOYSA-N
XLogP3.88
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(N-phenylanilino)thiadiazole-4-carbonitrile?
The IUPAC name of 5-(N-phenylanilino)thiadiazole-4-carbonitrile (CID 146169923) is 5-(N-phenylanilino)thiadiazole-4-carbonitrile.
What is the SMILES notation for 5-(N-phenylanilino)thiadiazole-4-carbonitrile?
The canonical SMILES for 5-(N-phenylanilino)thiadiazole-4-carbonitrile is N#Cc1nnsc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(N-phenylanilino)thiadiazole-4-carbonitrile?
The InChIKey is HHEWOSKYAIMNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c16-11-14-15(20-18-17-14)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H.
What are the key properties of 5-(N-phenylanilino)thiadiazole-4-carbonitrile?
5-(N-phenylanilino)thiadiazole-4-carbonitrile has a molecular weight of 278.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-phenylanilino)thiadiazole-4-carbonitrile is sourced from PubChem (CID 146169923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).