1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone

C16H13N3OS — CID 2925640

IUPAC1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc2snnc2c1
InChIInChI=1S/C16H13N3OS/c1-10-8-11-4-2-3-5-14(11)19(10)16(20)12-6-7-15-13(9-12)17-18-21-15/h2-7,9-10H,8H2,1H3
InChIKeyAEYYFAVETZKCOT-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.28
Rot. Bonds1

About 1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone

1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 2925640) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID2925640
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc2snnc2c1
InChIInChI=1S/C16H13N3OS/c1-10-8-11-4-2-3-5-14(11)19(10)16(20)12-6-7-15-13(9-12)17-18-21-15/h2-7,9-10H,8H2,1H3
InChIKeyAEYYFAVETZKCOT-UHFFFAOYSA-N
XLogP3.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of 1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 2925640) is 1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for 1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for 1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc2snnc2c1.
What is the InChIKey of 1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is AEYYFAVETZKCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-10-8-11-4-2-3-5-14(11)19(10)16(20)12-6-7-15-13(9-12)17-18-21-15/h2-7,9-10H,8H2,1H3.
What are the key properties of 1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone?
1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 295.37 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzothiadiazol-5-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 2925640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).