3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one

C8H8N4OS — CID 170859372

IUPAC3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCn1ncnn1)c1cccs1
InChIInChI=1S/C8H8N4OS/c13-7(8-2-1-5-14-8)3-4-12-10-6-9-11-12/h1-2,5-6H,3-4H2
InChIKeyZLYFWXNMKASPIF-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.01
Rot. Bonds4

About 3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one

3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one (PubChem CID 170859372) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one
PubChem CID170859372
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCn1ncnn1)c1cccs1
InChIInChI=1S/C8H8N4OS/c13-7(8-2-1-5-14-8)3-4-12-10-6-9-11-12/h1-2,5-6H,3-4H2
InChIKeyZLYFWXNMKASPIF-UHFFFAOYSA-N
XLogP1.01
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-thiophen-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 12960128
4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one
CID 43793295
3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one
CID 170859322
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
CID 12739150
1-pyrimidin-5-yl-4-thiophen-2-ylbutane-1,4-dione
CID 90363831
3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 3022656
3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 82122856
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium
CID 2064474

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one (CID 170859372) is 3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one is O=C(CCn1ncnn1)c1cccs1.
What is the InChIKey of 3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one?
The InChIKey is ZLYFWXNMKASPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c13-7(8-2-1-5-14-8)3-4-12-10-6-9-11-12/h1-2,5-6H,3-4H2.
What are the key properties of 3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one?
3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one has a molecular weight of 208.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 170859372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).