4-thiophen-2-yl-1H-tetrazol-5-one

C5H4N4OS — CID 135742618

IUPAC4-thiophen-2-yl-1H-tetrazol-5-one
SMILESO=c1[nH]nnn1-c1cccs1
InChIInChI=1S/C5H4N4OS/c10-5-6-7-8-9(5)4-2-1-3-11-4/h1-3H,(H,6,8,10)
InChIKeyMECGPFLJSDVABY-UHFFFAOYSA-N
MW168.18 g/mol
LogP0.02
Rot. Bonds1

About 4-thiophen-2-yl-1H-tetrazol-5-one

4-thiophen-2-yl-1H-tetrazol-5-one (PubChem CID 135742618) has the molecular formula C5H4N4OS and a molecular weight of 168.18 g/mol. Its IUPAC name is 4-thiophen-2-yl-1H-tetrazol-5-one.

Molecular Properties

Compound Name4-thiophen-2-yl-1H-tetrazol-5-one
PubChem CID135742618
Molecular FormulaC5H4N4OS
Molecular Weight168.18 g/mol
Exact Mass168.01
IUPAC Name4-thiophen-2-yl-1H-tetrazol-5-one
SMILESO=c1[nH]nnn1-c1cccs1
InChIInChI=1S/C5H4N4OS/c10-5-6-7-8-9(5)4-2-1-3-11-4/h1-3H,(H,6,8,10)
InChIKeyMECGPFLJSDVABY-UHFFFAOYSA-N
XLogP0.02
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1H-tetrazol-5-one?
The IUPAC name of 4-thiophen-2-yl-1H-tetrazol-5-one (CID 135742618) is 4-thiophen-2-yl-1H-tetrazol-5-one.
What is the SMILES notation for 4-thiophen-2-yl-1H-tetrazol-5-one?
The canonical SMILES for 4-thiophen-2-yl-1H-tetrazol-5-one is O=c1[nH]nnn1-c1cccs1.
What is the InChIKey of 4-thiophen-2-yl-1H-tetrazol-5-one?
The InChIKey is MECGPFLJSDVABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4OS/c10-5-6-7-8-9(5)4-2-1-3-11-4/h1-3H,(H,6,8,10).
What are the key properties of 4-thiophen-2-yl-1H-tetrazol-5-one?
4-thiophen-2-yl-1H-tetrazol-5-one has a molecular weight of 168.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1H-tetrazol-5-one is sourced from PubChem (CID 135742618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).