1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone

C13H14N2OS2 — CID 975894

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSC1=NCCS1)N1CCc2ccccc21
InChIInChI=1S/C13H14N2OS2/c16-12(9-18-13-14-6-8-17-13)15-7-5-10-3-1-2-4-11(10)15/h1-4H,5-9H2
InChIKeyCWTPMMZLGFDHRT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.41
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone (PubChem CID 975894) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone
PubChem CID975894
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSC1=NCCS1)N1CCc2ccccc21
InChIInChI=1S/C13H14N2OS2/c16-12(9-18-13-14-6-8-17-13)15-7-5-10-3-1-2-4-11(10)15/h1-4H,5-9H2
InChIKeyCWTPMMZLGFDHRT-UHFFFAOYSA-N
XLogP2.41
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone (CID 975894) is 1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone is O=C(CSC1=NCCS1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone?
The InChIKey is CWTPMMZLGFDHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c16-12(9-18-13-14-6-8-17-13)15-7-5-10-3-1-2-4-11(10)15/h1-4H,5-9H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 975894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).