5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione

C12H11N3OS — CID 86272987

IUPAC5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(CCc2c[nH]c3ccccc23)o1
InChIInChI=1S/C12H11N3OS/c17-12-15-14-11(16-12)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H,15,17)
InChIKeyIMFCPXHJTCXXNW-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.00
Rot. Bonds3

About 5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione

5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 86272987) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID86272987
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(CCc2c[nH]c3ccccc23)o1
InChIInChI=1S/C12H11N3OS/c17-12-15-14-11(16-12)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H,15,17)
InChIKeyIMFCPXHJTCXXNW-UHFFFAOYSA-N
XLogP3.00
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione with MolForge

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Related Compounds

3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one
CID 139312081
5-[2-(2-methylphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione
CID 62367611
4-amino-3-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-thione
CID 11108047
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one
CID 136903472
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
4-[2-(1H-indol-3-yl)ethyl]benzene-1,3-diamine
CID 58608980
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
3-(1H-indol-3-yl)propanethioamide
CID 3979253
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
CID 3352170
8-(1H-indol-3-yl)octan-1-amine
CID 57188115

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione (CID 86272987) is 5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione is S=c1[nH]nc(CCc2c[nH]c3ccccc23)o1.
What is the InChIKey of 5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is IMFCPXHJTCXXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c17-12-15-14-11(16-12)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H,15,17).
What are the key properties of 5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione?
5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 245.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 86272987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).