5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile

C6H7N3OS2 — CID 21163808

IUPAC5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile
SMILESCCCS(=O)c1nnc(C#N)s1
InChIInChI=1S/C6H7N3OS2/c1-2-3-12(10)6-9-8-5(4-7)11-6/h2-3H2,1H3
InChIKeyFSFYEFZHFWOSPM-UHFFFAOYSA-N
MW201.28 g/mol
LogP0.93
Rot. Bonds3

About 5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile

5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile (PubChem CID 21163808) has the molecular formula C6H7N3OS2 and a molecular weight of 201.28 g/mol. Its IUPAC name is 5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile.

Molecular Properties

Compound Name5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile
PubChem CID21163808
Molecular FormulaC6H7N3OS2
Molecular Weight201.28 g/mol
Exact Mass201.00
IUPAC Name5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile
SMILESCCCS(=O)c1nnc(C#N)s1
InChIInChI=1S/C6H7N3OS2/c1-2-3-12(10)6-9-8-5(4-7)11-6/h2-3H2,1H3
InChIKeyFSFYEFZHFWOSPM-UHFFFAOYSA-N
XLogP0.93
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile 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 5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile?
The IUPAC name of 5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile (CID 21163808) is 5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile.
What is the SMILES notation for 5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile?
The canonical SMILES for 5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile is CCCS(=O)c1nnc(C#N)s1.
What is the InChIKey of 5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile?
The InChIKey is FSFYEFZHFWOSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS2/c1-2-3-12(10)6-9-8-5(4-7)11-6/h2-3H2,1H3.
What are the key properties of 5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile?
5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile has a molecular weight of 201.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylsulfinyl-1,3,4-thiadiazole-2-carbonitrile is sourced from PubChem (CID 21163808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).