2-(thiadiazol-4-ylmethylamino)benzonitrile

C10H8N4S — CID 43663908

IUPAC2-(thiadiazol-4-ylmethylamino)benzonitrile
SMILESN#Cc1ccccc1NCc1csnn1
InChIInChI=1S/C10H8N4S/c11-5-8-3-1-2-4-10(8)12-6-9-7-15-14-13-9/h1-4,7,12H,6H2
InChIKeySXJQZBQCFGCWHC-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.02
Rot. Bonds3

About 2-(thiadiazol-4-ylmethylamino)benzonitrile

2-(thiadiazol-4-ylmethylamino)benzonitrile (PubChem CID 43663908) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-(thiadiazol-4-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-(thiadiazol-4-ylmethylamino)benzonitrile
PubChem CID43663908
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name2-(thiadiazol-4-ylmethylamino)benzonitrile
SMILESN#Cc1ccccc1NCc1csnn1
InChIInChI=1S/C10H8N4S/c11-5-8-3-1-2-4-10(8)12-6-9-7-15-14-13-9/h1-4,7,12H,6H2
InChIKeySXJQZBQCFGCWHC-UHFFFAOYSA-N
XLogP2.02
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(thiadiazol-4-ylmethylamino)benzonitrile 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 2-(thiadiazol-4-ylmethylamino)benzonitrile?
The IUPAC name of 2-(thiadiazol-4-ylmethylamino)benzonitrile (CID 43663908) is 2-(thiadiazol-4-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-(thiadiazol-4-ylmethylamino)benzonitrile?
The canonical SMILES for 2-(thiadiazol-4-ylmethylamino)benzonitrile is N#Cc1ccccc1NCc1csnn1.
What is the InChIKey of 2-(thiadiazol-4-ylmethylamino)benzonitrile?
The InChIKey is SXJQZBQCFGCWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-5-8-3-1-2-4-10(8)12-6-9-7-15-14-13-9/h1-4,7,12H,6H2.
What are the key properties of 2-(thiadiazol-4-ylmethylamino)benzonitrile?
2-(thiadiazol-4-ylmethylamino)benzonitrile has a molecular weight of 216.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-ylmethylamino)benzonitrile is sourced from PubChem (CID 43663908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).