1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone

C15H13ClN4OS2 — CID 17394088

IUPAC1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1CCc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4OS2/c16-12-5-3-11(4-6-12)14(21)10-23-15-17-18-19-20(15)8-7-13-2-1-9-22-13/h1-6,9H,7-8,10H2
InChIKeyOMSZMEFBNLJNDB-UHFFFAOYSA-N
MW364.88 g/mol
LogP3.61
Rot. Bonds7

About 1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone

1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 17394088) has the molecular formula C15H13ClN4OS2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone
PubChem CID17394088
Molecular FormulaC15H13ClN4OS2
Molecular Weight364.88 g/mol
Exact Mass364.02
IUPAC Name1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1CCc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4OS2/c16-12-5-3-11(4-6-12)14(21)10-23-15-17-18-19-20(15)8-7-13-2-1-9-22-13/h1-6,9H,7-8,10H2
InChIKeyOMSZMEFBNLJNDB-UHFFFAOYSA-N
XLogP3.61
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone (CID 17394088) is 1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone is O=C(CSc1nnnn1CCc1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is OMSZMEFBNLJNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS2/c16-12-5-3-11(4-6-12)14(21)10-23-15-17-18-19-20(15)8-7-13-2-1-9-22-13/h1-6,9H,7-8,10H2.
What are the key properties of 1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone?
1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 364.88 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 17394088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).