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

C15H19N5OS — CID 3212967

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nnnn1C(C)C
InChIInChI=1S/C15H19N5OS/c1-10(2)20-15(16-17-18-20)22-9-14(21)19-11(3)8-12-6-4-5-7-13(12)19/h4-7,10-11H,8-9H2,1-3H3
InChIKeyMKANJRQFRNZDMN-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.32
Rot. Bonds4

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

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone (PubChem CID 3212967) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
PubChem CID3212967
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nnnn1C(C)C
InChIInChI=1S/C15H19N5OS/c1-10(2)20-15(16-17-18-20)22-9-14(21)19-11(3)8-12-6-4-5-7-13(12)19/h4-7,10-11H,8-9H2,1-3H3
InChIKeyMKANJRQFRNZDMN-UHFFFAOYSA-N
XLogP2.32
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1H-indol-1-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanone
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-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone
CID 2991656
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 648639
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 652185
1-(2,3-Dihydroindol-1-yl)-2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]ethanone
CID 934505
5-{[(1-methyl-1H-tetrazol-5-yl)thio]acetyl}-10,11-dihydro-5H-dibenzo[b,f]azepine
CID 1081023
1-(4-{[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]methyl}phenyl)pyrrolidine-2,5-dione
CID 1329086

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone (CID 3212967) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone is CC1Cc2ccccc2N1C(=O)CSc1nnnn1C(C)C.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone?
The InChIKey is MKANJRQFRNZDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10(2)20-15(16-17-18-20)22-9-14(21)19-11(3)8-12-6-4-5-7-13(12)19/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone has a molecular weight of 317.42 g/mol, XLogP of 2.32, 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-propan-2-yltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 3212967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).