5-anilinothiadiazole-4-carbonitrile

C9H6N4S — CID 14028172

IUPAC5-anilinothiadiazole-4-carbonitrile
SMILESN#Cc1nnsc1Nc1ccccc1
InChIInChI=1S/C9H6N4S/c10-6-8-9(14-13-12-8)11-7-4-2-1-3-5-7/h1-5,11H
InChIKeyAXQUGNAQIVFKNJ-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.15
Rot. Bonds2

About 5-anilinothiadiazole-4-carbonitrile

5-anilinothiadiazole-4-carbonitrile (PubChem CID 14028172) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 5-anilinothiadiazole-4-carbonitrile.

Molecular Properties

Compound Name5-anilinothiadiazole-4-carbonitrile
PubChem CID14028172
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name5-anilinothiadiazole-4-carbonitrile
SMILESN#Cc1nnsc1Nc1ccccc1
InChIInChI=1S/C9H6N4S/c10-6-8-9(14-13-12-8)11-7-4-2-1-3-5-7/h1-5,11H
InChIKeyAXQUGNAQIVFKNJ-UHFFFAOYSA-N
XLogP2.15
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-anilinothiadiazole-4-carbonitrile?
The IUPAC name of 5-anilinothiadiazole-4-carbonitrile (CID 14028172) is 5-anilinothiadiazole-4-carbonitrile.
What is the SMILES notation for 5-anilinothiadiazole-4-carbonitrile?
The canonical SMILES for 5-anilinothiadiazole-4-carbonitrile is N#Cc1nnsc1Nc1ccccc1.
What is the InChIKey of 5-anilinothiadiazole-4-carbonitrile?
The InChIKey is AXQUGNAQIVFKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c10-6-8-9(14-13-12-8)11-7-4-2-1-3-5-7/h1-5,11H.
What are the key properties of 5-anilinothiadiazole-4-carbonitrile?
5-anilinothiadiazole-4-carbonitrile has a molecular weight of 202.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilinothiadiazole-4-carbonitrile is sourced from PubChem (CID 14028172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).