3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one

C19H18N2O2S — CID 3163780

IUPAC3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one
SMILESCC1Cc2ccccc2N1C(=O)CCn1c(=O)sc2ccccc21
InChIInChI=1S/C19H18N2O2S/c1-13-12-14-6-2-3-7-15(14)21(13)18(22)10-11-20-16-8-4-5-9-17(16)24-19(20)23/h2-9,13H,10-12H2,1H3
InChIKeySUVXKRCGSWNWMW-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.43
Rot. Bonds3

About 3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one

3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one (PubChem CID 3163780) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one
PubChem CID3163780
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one
SMILESCC1Cc2ccccc2N1C(=O)CCn1c(=O)sc2ccccc21
InChIInChI=1S/C19H18N2O2S/c1-13-12-14-6-2-3-7-15(14)21(13)18(22)10-11-20-16-8-4-5-9-17(16)24-19(20)23/h2-9,13H,10-12H2,1H3
InChIKeySUVXKRCGSWNWMW-UHFFFAOYSA-N
XLogP3.43
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-2(3H)-benzothiazolone
CID 853901
3-(3-Piperidin-1-ylpropyl)-6-propyl-1,3-benzothiazol-2-one
CID 58386778
1-(2,3-Dihydro-indol-1-yl)-2-p-tolylsulfanyl-ethanone
CID 738380
6-(But-1-en-2-yl)-3-[3-(piperidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazol-2-one, 11
CID 71463512
3-[4-[4-(2-Methylphenyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
CID 118713589
1-(2,3-Dihydroindol-1-yl)-2-(phenylthio)ethanone
CID 736577
(R)-3-(3-(methylamino)-1-phenylpropyl)benzo[d]thiazol-2(3H)-one
CID 16067734
N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 706207
3-Benzyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-thioxo-thiazolidin-4-one
CID 2259985
N-[2-(methylthio)phenyl]-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
CID 3236632
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone
CID 3435469
3-[4-(4-Benzylpiperazin-1-yl)butyl]-1,3-benzothiazol-2-one
CID 118713590

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one?
The IUPAC name of 3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one (CID 3163780) is 3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one is CC1Cc2ccccc2N1C(=O)CCn1c(=O)sc2ccccc21.
What is the InChIKey of 3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one?
The InChIKey is SUVXKRCGSWNWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-12-14-6-2-3-7-15(14)21(13)18(22)10-11-20-16-8-4-5-9-17(16)24-19(20)23/h2-9,13H,10-12H2,1H3.
What are the key properties of 3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one?
3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one has a molecular weight of 338.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-one is sourced from PubChem (CID 3163780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).