1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone

C7H6N4OS — CID 55256002

IUPAC1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nn[nH]n2)s1
InChIInChI=1S/C7H6N4OS/c1-4(12)5-2-3-6(13-5)7-8-10-11-9-7/h2-3H,1H3,(H,8,9,10,11)
InChIKeyGSMWNFMCXJPUFW-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.13
Rot. Bonds2

About 1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone

1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone (PubChem CID 55256002) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone
PubChem CID55256002
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC Name1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nn[nH]n2)s1
InChIInChI=1S/C7H6N4OS/c1-4(12)5-2-3-6(13-5)7-8-10-11-9-7/h2-3H,1H3,(H,8,9,10,11)
InChIKeyGSMWNFMCXJPUFW-UHFFFAOYSA-N
XLogP1.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone (CID 55256002) is 1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2nn[nH]n2)s1.
What is the InChIKey of 1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone?
The InChIKey is GSMWNFMCXJPUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c1-4(12)5-2-3-6(13-5)7-8-10-11-9-7/h2-3H,1H3,(H,8,9,10,11).
What are the key properties of 1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone?
1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone has a molecular weight of 194.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 55256002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).