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

C14H16N2OS2 — CID 2997916

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CSC1=NCCS1
InChIInChI=1S/C14H16N2OS2/c1-10-8-11-4-2-3-5-12(11)16(10)13(17)9-19-14-15-6-7-18-14/h2-5,10H,6-9H2,1H3
InChIKeyVPIHDWALZGEBIF-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.80
Rot. Bonds2

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

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 2997916) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID2997916
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CSC1=NCCS1
InChIInChI=1S/C14H16N2OS2/c1-10-8-11-4-2-3-5-12(11)16(10)13(17)9-19-14-15-6-7-18-14/h2-5,10H,6-9H2,1H3
InChIKeyVPIHDWALZGEBIF-UHFFFAOYSA-N
XLogP2.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 2997916) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)CSC1=NCCS1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is VPIHDWALZGEBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-10-8-11-4-2-3-5-12(11)16(10)13(17)9-19-14-15-6-7-18-14/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 292.43 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 2997916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).