1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone

C19H16N2OS2 — CID 1263943

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nc(-c2ccccc2)cs1)N1CCc2ccccc21
InChIInChI=1S/C19H16N2OS2/c22-18(21-11-10-15-8-4-5-9-17(15)21)13-24-19-20-16(12-23-19)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2
InChIKeyNWPOPFMCLDSXNA-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.49
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone (PubChem CID 1263943) has the molecular formula C19H16N2OS2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
PubChem CID1263943
Molecular FormulaC19H16N2OS2
Molecular Weight352.48 g/mol
Exact Mass352.07
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nc(-c2ccccc2)cs1)N1CCc2ccccc21
InChIInChI=1S/C19H16N2OS2/c22-18(21-11-10-15-8-4-5-9-17(15)21)13-24-19-20-16(12-23-19)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2
InChIKeyNWPOPFMCLDSXNA-UHFFFAOYSA-N
XLogP4.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 973052
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2-(Benzothiazol-2-ylsulfanyl)-N-(1-benzyl-piperidin-4-yl)-acetamide
CID 10000888
1-Methyl-5-(2-Methyl-1,3-Thiazol-4-Yl)-1,3-Dihydro-2h-Indol-2-One
CID 9398573
1-[5-(2-Amino-thiazol-4-yl)-2-methyl-2,3-dihydro-indol-1-yl]-butan-1-one
CID 646828
1-[5-(2-Amino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-2-methyl-propan-1-one
CID 649679
1-[5-(2-Amino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-2-methyl-butan-1-one
CID 651655
4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-ethylphenyl)butanamide
CID 2102451
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2621084
1-[5-(2-Amino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-2,2-dimethyl-propan-1-one
CID 3231177
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 4437083
2-[[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 4833625

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone (CID 1263943) is 1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone is O=C(CSc1nc(-c2ccccc2)cs1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The InChIKey is NWPOPFMCLDSXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS2/c22-18(21-11-10-15-8-4-5-9-17(15)21)13-24-19-20-16(12-23-19)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone has a molecular weight of 352.48 g/mol, XLogP of 4.49, 4 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-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 1263943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).