1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone

C16H15N5OS2 — CID 9206940

IUPAC1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1Cc1cccs1)N1CCc2ccccc21
InChIInChI=1S/C16H15N5OS2/c22-15(20-8-7-12-4-1-2-6-14(12)20)11-24-16-17-18-19-21(16)10-13-5-3-9-23-13/h1-6,9H,7-8,10-11H2
InChIKeyBDXNLHBZKRSLFM-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.46
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone

1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 9206940) has the molecular formula C16H15N5OS2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
PubChem CID9206940
Molecular FormulaC16H15N5OS2
Molecular Weight357.46 g/mol
Exact Mass357.07
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1Cc1cccs1)N1CCc2ccccc21
InChIInChI=1S/C16H15N5OS2/c22-15(20-8-7-12-4-1-2-6-14(12)20)11-24-16-17-18-19-21(16)10-13-5-3-9-23-13/h1-6,9H,7-8,10-11H2
InChIKeyBDXNLHBZKRSLFM-UHFFFAOYSA-N
XLogP2.46
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone with MolForge

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethanone
CID 36794907
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 41113139
1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 41182902
tert-butyl 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetate
CID 47120873
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
CID 27138971
1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 23917352
N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide
CID 36987490
N-(propan-2-ylcarbamoyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987439
1-(2,5-dimethylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 36987470
2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 38222371
N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 5051757
N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide
CID 42139496

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone (CID 9206940) is 1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone is O=C(CSc1nnnn1Cc1cccs1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is BDXNLHBZKRSLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS2/c22-15(20-8-7-12-4-1-2-6-14(12)20)11-24-16-17-18-19-21(16)10-13-5-3-9-23-13/h1-6,9H,7-8,10-11H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone?
1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 357.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 9206940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).