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

C14H12N4O2S — CID 2321873

IUPAC1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESCc1ccc(C(=O)CSc2nnnn2-c2ccccc2)o1
InChIInChI=1S/C14H12N4O2S/c1-10-7-8-13(20-10)12(19)9-21-14-15-16-17-18(14)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyJGQIVHCQDKLGOI-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.54
Rot. Bonds5

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

1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (PubChem CID 2321873) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
PubChem CID2321873
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESCc1ccc(C(=O)CSc2nnnn2-c2ccccc2)o1
InChIInChI=1S/C14H12N4O2S/c1-10-7-8-13(20-10)12(19)9-21-14-15-16-17-18(14)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyJGQIVHCQDKLGOI-UHFFFAOYSA-N
XLogP2.54
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CID 2321873) is 1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is Cc1ccc(C(=O)CSc2nnnn2-c2ccccc2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The InChIKey is JGQIVHCQDKLGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-10-7-8-13(20-10)12(19)9-21-14-15-16-17-18(14)11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone has a molecular weight of 300.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 2321873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).