2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole

C7H6N2OS2 — CID 574221

IUPAC2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCSc1nnc(-c2cccs2)o1
InChIInChI=1S/C7H6N2OS2/c1-11-7-9-8-6(10-7)5-3-2-4-12-5/h2-4H,1H3
InChIKeyJTTNWOJVVRLMTO-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.52
Rot. Bonds2

About 2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole

2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 574221) has the molecular formula C7H6N2OS2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID574221
Molecular FormulaC7H6N2OS2
Molecular Weight198.27 g/mol
Exact Mass197.99
IUPAC Name2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCSc1nnc(-c2cccs2)o1
InChIInChI=1S/C7H6N2OS2/c1-11-7-9-8-6(10-7)5-3-2-4-12-5/h2-4H,1H3
InChIKeyJTTNWOJVVRLMTO-UHFFFAOYSA-N
XLogP2.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole 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-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole (CID 574221) is 2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole is CSc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is JTTNWOJVVRLMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS2/c1-11-7-9-8-6(10-7)5-3-2-4-12-5/h2-4H,1H3.
What are the key properties of 2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole?
2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 198.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 574221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).