5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one

C17H14N2OS — CID 101441414

IUPAC5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one
SMILESCN1C(=O)c2c(c3ccccc3n2C)Sc2ccccc21
InChIInChI=1S/C17H14N2OS/c1-18-12-8-4-3-7-11(12)16-15(18)17(20)19(2)13-9-5-6-10-14(13)21-16/h3-10H,1-2H3
InChIKeyXEINWEAQWBQTDQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.92
Rot. Bonds

About 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one

5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one (PubChem CID 101441414) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one.

Molecular Properties

Compound Name5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one
PubChem CID101441414
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one
SMILESCN1C(=O)c2c(c3ccccc3n2C)Sc2ccccc21
InChIInChI=1S/C17H14N2OS/c1-18-12-8-4-3-7-11(12)16-15(18)17(20)19(2)13-9-5-6-10-14(13)21-16/h3-10H,1-2H3
InChIKeyXEINWEAQWBQTDQ-UHFFFAOYSA-N
XLogP3.92
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-methyl-5H-indolo[2,3-b][1,5]benzothiazepin-12-one
CID 15651166
1,3-bis(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-one
CID 5197132
(5Z)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5455150
5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one
CID 86082125
(1E)-1-(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-one
CID 670432
19-methyl-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene
CID 145326965
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
(5Z)-3-ethyl-1-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylideneimidazolidin-4-one
CID 22887445
2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 3037175
3,6-bis(4-carbazol-9-ylphenyl)-9-methylcarbazole;3-(4-carbazol-9-ylphenyl)-9-methylcarbazole;10-methyl-3,7-bis(9-phenylcarbazol-3-yl)phenothiazine;10-methyl-3,7-bis(10-phenylphenothiazin-3-yl)phenothiazine;3-[9-methyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-phenylphenothiazine;10-methyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine
CID 159664393
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
(2E)-N-(2,2-dimethylpropyl)-2-(4-methyl-3-oxo-1,4-benzothiazin-2-ylidene)acetamide
CID 46704813

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one?
The IUPAC name of 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one (CID 101441414) is 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one.
What is the SMILES notation for 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one?
The canonical SMILES for 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one is CN1C(=O)c2c(c3ccccc3n2C)Sc2ccccc21.
What is the InChIKey of 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one?
The InChIKey is XEINWEAQWBQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-18-12-8-4-3-7-11(12)16-15(18)17(20)19(2)13-9-5-6-10-14(13)21-16/h3-10H,1-2H3.
What are the key properties of 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one?
5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one has a molecular weight of 294.38 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylindolo[3,2-b][1,5]benzothiazepin-6-one is sourced from PubChem (CID 101441414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).