1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone

C19H18N2O2S2 — CID 1347686

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
SMILESCCOc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1
InChIInChI=1S/C19H18N2O2S2/c1-2-23-14-7-8-15-17(11-14)25-19(20-15)24-12-18(22)21-10-9-13-5-3-4-6-16(13)21/h3-8,11H,2,9-10,12H2,1H3
InChIKeySAZGAWRFSNGXLD-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.38
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone (PubChem CID 1347686) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
PubChem CID1347686
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
SMILESCCOc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1
InChIInChI=1S/C19H18N2O2S2/c1-2-23-14-7-8-15-17(11-14)25-19(20-15)24-12-18(22)21-10-9-13-5-3-4-6-16(13)21/h3-8,11H,2,9-10,12H2,1H3
InChIKeySAZGAWRFSNGXLD-UHFFFAOYSA-N
XLogP4.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone (CID 1347686) is 1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone is CCOc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
The InChIKey is SAZGAWRFSNGXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-2-23-14-7-8-15-17(11-14)25-19(20-15)24-12-18(22)21-10-9-13-5-3-4-6-16(13)21/h3-8,11H,2,9-10,12H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone has a molecular weight of 370.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 1347686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).