2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C19H19N5OS — CID 648639

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C19H19N5OS/c1-14-11-16-9-5-6-10-17(16)24(14)18(25)13-26-19-20-21-22-23(19)12-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
InChIKeyGGHYTXJGXPJLPH-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.79
Rot. Bonds5

About 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 648639) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID648639
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C19H19N5OS/c1-14-11-16-9-5-6-10-17(16)24(14)18(25)13-26-19-20-21-22-23(19)12-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
InChIKeyGGHYTXJGXPJLPH-UHFFFAOYSA-N
XLogP2.79
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 648639) is 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)CSc1nnnn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is GGHYTXJGXPJLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-14-11-16-9-5-6-10-17(16)24(14)18(25)13-26-19-20-21-22-23(19)12-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3.
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 365.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 648639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).