2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

C16H16N2OS — CID 64975813

IUPAC2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCN1CCc2cc(-c3nc4c(s3)CCCC4=O)ccc21
InChIInChI=1S/C16H16N2OS/c1-18-8-7-10-9-11(5-6-12(10)18)16-17-15-13(19)3-2-4-14(15)20-16/h5-6,9H,2-4,7-8H2,1H3
InChIKeyACYBZWDZRMAOOR-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.32
Rot. Bonds1

About 2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64975813) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64975813
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCN1CCc2cc(-c3nc4c(s3)CCCC4=O)ccc21
InChIInChI=1S/C16H16N2OS/c1-18-8-7-10-9-11(5-6-12(10)18)16-17-15-13(19)3-2-4-14(15)20-16/h5-6,9H,2-4,7-8H2,1H3
InChIKeyACYBZWDZRMAOOR-UHFFFAOYSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64975813) is 2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is CN1CCc2cc(-c3nc4c(s3)CCCC4=O)ccc21.
What is the InChIKey of 2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is ACYBZWDZRMAOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-18-8-7-10-9-11(5-6-12(10)18)16-17-15-13(19)3-2-4-14(15)20-16/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 284.38 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64975813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).