6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione

C12H10N4O2S2 — CID 63737301

IUPAC6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione
SMILESCN(C)c1nnc(Sc2ccc3c(c2)NC(=O)C3=O)s1
InChIInChI=1S/C12H10N4O2S2/c1-16(2)11-14-15-12(20-11)19-6-3-4-7-8(5-6)13-10(18)9(7)17/h3-5H,1-2H3,(H,13,17,18)
InChIKeyOSGBJIDFCNRYKR-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.89
Rot. Bonds3

About 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione

6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione (PubChem CID 63737301) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione
PubChem CID63737301
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC Name6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione
SMILESCN(C)c1nnc(Sc2ccc3c(c2)NC(=O)C3=O)s1
InChIInChI=1S/C12H10N4O2S2/c1-16(2)11-14-15-12(20-11)19-6-3-4-7-8(5-6)13-10(18)9(7)17/h3-5H,1-2H3,(H,13,17,18)
InChIKeyOSGBJIDFCNRYKR-UHFFFAOYSA-N
XLogP1.89
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione 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 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione?
The IUPAC name of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione (CID 63737301) is 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione.
What is the SMILES notation for 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione?
The canonical SMILES for 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione is CN(C)c1nnc(Sc2ccc3c(c2)NC(=O)C3=O)s1.
What is the InChIKey of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione?
The InChIKey is OSGBJIDFCNRYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c1-16(2)11-14-15-12(20-11)19-6-3-4-7-8(5-6)13-10(18)9(7)17/h3-5H,1-2H3,(H,13,17,18).
What are the key properties of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione?
6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione has a molecular weight of 306.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1H-indole-2,3-dione is sourced from PubChem (CID 63737301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).