5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione

C16H10N2O2S — CID 16794953

IUPAC5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione
SMILESCc1ccc2nc(-c3ccc4c(c3)C(=O)C(=O)N4)sc2c1
InChIInChI=1S/C16H10N2O2S/c1-8-2-4-12-13(6-8)21-16(18-12)9-3-5-11-10(7-9)14(19)15(20)17-11/h2-7H,1H3,(H,17,19,20)
InChIKeyOOINJCDTEPHHPC-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.41
Rot. Bonds1

About 5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione

5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione (PubChem CID 16794953) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione
PubChem CID16794953
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC Name5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione
SMILESCc1ccc2nc(-c3ccc4c(c3)C(=O)C(=O)N4)sc2c1
InChIInChI=1S/C16H10N2O2S/c1-8-2-4-12-13(6-8)21-16(18-12)9-3-5-11-10(7-9)14(19)15(20)17-11/h2-7H,1H3,(H,17,19,20)
InChIKeyOOINJCDTEPHHPC-UHFFFAOYSA-N
XLogP3.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
ethane;5-methyl-1H-indole-2,3-dione
CID 167465051
N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]methanesulfonamide
CID 164804574
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
2-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105357
2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
CID 166850337
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 50849900
2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole
CID 159583059
CID 170854368
CID 170854368
4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline
CID 110620092

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione?
The IUPAC name of 5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione (CID 16794953) is 5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione is Cc1ccc2nc(-c3ccc4c(c3)C(=O)C(=O)N4)sc2c1.
What is the InChIKey of 5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione?
The InChIKey is OOINJCDTEPHHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S/c1-8-2-4-12-13(6-8)21-16(18-12)9-3-5-11-10(7-9)14(19)15(20)17-11/h2-7H,1H3,(H,17,19,20).
What are the key properties of 5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione?
5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione has a molecular weight of 294.34 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 16794953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).