1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

C13H10N4O2S — CID 2336427

IUPAC1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)c1ccco1
InChIInChI=1S/C13H10N4O2S/c18-11(12-7-4-8-19-12)9-20-13-14-15-16-17(13)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyCHRHVYMVZYFEQP-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.23
Rot. Bonds5

About 1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (PubChem CID 2336427) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
PubChem CID2336427
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)c1ccco1
InChIInChI=1S/C13H10N4O2S/c18-11(12-7-4-8-19-12)9-20-13-14-15-16-17(13)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyCHRHVYMVZYFEQP-UHFFFAOYSA-N
XLogP2.23
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-Methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2321873
N-[4-[5-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide
CID 3212991
N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 1147166
N'-[2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 1440799
Methyl 5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]furan-2-carboxylate
CID 2113028
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2336321
N'-[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 1175656
N-{2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl}-2-furamide
CID 2222270
5-[[5-(4-fluoroanilino)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carbaldehyde
CID 87827002
1-(1-Benzofuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2376479
Methyl 5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate
CID 7562950
Methyl 5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate
CID 7802136

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CID 2336427) is 1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is O=C(CSc1nnnn1-c1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The InChIKey is CHRHVYMVZYFEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-11(12-7-4-8-19-12)9-20-13-14-15-16-17(13)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone has a molecular weight of 286.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 2336427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).