2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile

C12H8N4OS — CID 137090733

IUPAC2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nnc(-c2cc3ccccc3[nH]2)o1
InChIInChI=1S/C12H8N4OS/c13-5-6-18-12-16-15-11(17-12)10-7-8-3-1-2-4-9(8)14-10/h1-4,7,14H,6H2
InChIKeyDJWORPLOGZZLIB-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.83
Rot. Bonds3

About 2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile

2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile (PubChem CID 137090733) has the molecular formula C12H8N4OS and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
PubChem CID137090733
Molecular FormulaC12H8N4OS
Molecular Weight256.29 g/mol
Exact Mass256.04
IUPAC Name2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nnc(-c2cc3ccccc3[nH]2)o1
InChIInChI=1S/C12H8N4OS/c13-5-6-18-12-16-15-11(17-12)10-7-8-3-1-2-4-9(8)14-10/h1-4,7,14H,6H2
InChIKeyDJWORPLOGZZLIB-UHFFFAOYSA-N
XLogP2.83
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile 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-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The IUPAC name of 2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile (CID 137090733) is 2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile.
What is the SMILES notation for 2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The canonical SMILES for 2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile is N#CCSc1nnc(-c2cc3ccccc3[nH]2)o1.
What is the InChIKey of 2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The InChIKey is DJWORPLOGZZLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4OS/c13-5-6-18-12-16-15-11(17-12)10-7-8-3-1-2-4-9(8)14-10/h1-4,7,14H,6H2.
What are the key properties of 2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile has a molecular weight of 256.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile is sourced from PubChem (CID 137090733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).