1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

C18H17N5OS — CID 2988736

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C18H17N5OS/c1-13-11-14-7-5-6-10-16(14)22(13)17(24)12-25-18-19-20-21-23(18)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3
InChIKeyGVDVCLSVHXYYLI-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.73
Rot. Bonds4

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (PubChem CID 2988736) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
PubChem CID2988736
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C18H17N5OS/c1-13-11-14-7-5-6-10-16(14)22(13)17(24)12-25-18-19-20-21-23(18)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3
InChIKeyGVDVCLSVHXYYLI-UHFFFAOYSA-N
XLogP2.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone
CID 2949820
3-Phenyl-7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2415764
1-(2,3-Dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 861216
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
7-[[[1-(2-Methylphenyl)-5-tetrazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone
CID 2446182
2-[1-(3-Methoxypropyl)tetrazol-5-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3212981
2-[(4,5-diethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1H-indol-1-yl)ethanone
CID 6457634
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
AG-205
CID 1202545
2-{4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 2383570
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 648639

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CID 2988736) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is CC1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccccc1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The InChIKey is GVDVCLSVHXYYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-13-11-14-7-5-6-10-16(14)22(13)17(24)12-25-18-19-20-21-23(18)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone has a molecular weight of 351.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 2988736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).