1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one

C18H17N5OS — CID 23917352

IUPAC1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
SMILESO=C(CCSc1nnnn1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C18H17N5OS/c24-17(22-12-10-14-6-4-5-9-16(14)22)11-13-25-18-19-20-21-23(18)15-7-2-1-3-8-15/h1-9H,10-13H2
InChIKeyBZRJFAYOJJZWSF-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.73
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one

1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one (PubChem CID 23917352) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
PubChem CID23917352
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
SMILESO=C(CCSc1nnnn1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C18H17N5OS/c24-17(22-12-10-14-6-4-5-9-16(14)22)11-13-25-18-19-20-21-23(18)15-7-2-1-3-8-15/h1-9H,10-13H2
InChIKeyBZRJFAYOJJZWSF-UHFFFAOYSA-N
XLogP2.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
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-(2,3-dihydroindol-1-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone
CID 56808144
1-(2,3-dihydroindol-1-yl)-2-[(S)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone
CID 95571893
1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone
CID 95571892
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2-hydroxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 18731404
N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 18731478
3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 17257492
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 52558632
(2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 7561571
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 9206940
tert-butyl 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate
CID 115580444

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one (CID 23917352) is 1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one is O=C(CCSc1nnnn1-c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
The InChIKey is BZRJFAYOJJZWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c24-17(22-12-10-14-6-4-5-9-16(14)22)11-13-25-18-19-20-21-23(18)15-7-2-1-3-8-15/h1-9H,10-13H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one has a molecular weight of 351.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one is sourced from PubChem (CID 23917352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).