6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione

C15H8N2O2S2 — CID 43586478

IUPAC6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3nc4ccccc4s3)ccc2C1=O
InChIInChI=1S/C15H8N2O2S2/c18-13-9-6-5-8(7-11(9)16-14(13)19)20-15-17-10-3-1-2-4-12(10)21-15/h1-7H,(H,16,18,19)
InChIKeyFEIJPWXHAMEMOR-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.58
Rot. Bonds2

About 6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione

6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione (PubChem CID 43586478) has the molecular formula C15H8N2O2S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione
PubChem CID43586478
Molecular FormulaC15H8N2O2S2
Molecular Weight312.38 g/mol
Exact Mass312.00
IUPAC Name6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3nc4ccccc4s3)ccc2C1=O
InChIInChI=1S/C15H8N2O2S2/c18-13-9-6-5-8(7-11(9)16-14(13)19)20-15-17-10-3-1-2-4-12(10)21-15/h1-7H,(H,16,18,19)
InChIKeyFEIJPWXHAMEMOR-UHFFFAOYSA-N
XLogP3.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(1,3-benzothiazol-2-ylsulfanyl)-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

Related Compounds

4-(1,3-benzothiazol-2-ylsulfanyl)-2-bromobenzoic acid
CID 107282625
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 21234014
5-(1,3-benzothiazol-2-ylsulfanyl)-2-nitroaniline
CID 13458466
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol
CID 63814574
N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 5240847
3-(1,3-benzothiazol-2-ylsulfanyl)-5-fluoroaniline
CID 60875381
1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)-2-bromoanthracene-9,10-dione
CID 21235711
2-[[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339731
2-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 23882189
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 43286117
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-3-(3,4-difluorophenyl)urea
CID 163364545
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 115939134

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The IUPAC name of 6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione (CID 43586478) is 6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione.
What is the SMILES notation for 6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The canonical SMILES for 6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione is O=C1Nc2cc(Sc3nc4ccccc4s3)ccc2C1=O.
What is the InChIKey of 6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The InChIKey is FEIJPWXHAMEMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O2S2/c18-13-9-6-5-8(7-11(9)16-14(13)19)20-15-17-10-3-1-2-4-12(10)21-15/h1-7H,(H,16,18,19).
What are the key properties of 6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione?
6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione has a molecular weight of 312.38 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-ylsulfanyl)-1H-indole-2,3-dione is sourced from PubChem (CID 43586478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).