4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione

C10H8N6O3S — CID 66085870

IUPAC4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2sccc2-n2cnnn2)CC(=O)N1
InChIInChI=1S/C10H8N6O3S/c17-7-3-15(4-8(18)12-7)10(19)9-6(1-2-20-9)16-5-11-13-14-16/h1-2,5H,3-4H2,(H,12,17,18)
InChIKeyZSOMLSWRPUDKQX-UHFFFAOYSA-N
MW292.28 g/mol
LogP-1.18
Rot. Bonds2

About 4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione

4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione (PubChem CID 66085870) has the molecular formula C10H8N6O3S and a molecular weight of 292.28 g/mol. Its IUPAC name is 4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione
PubChem CID66085870
Molecular FormulaC10H8N6O3S
Molecular Weight292.28 g/mol
Exact Mass292.04
IUPAC Name4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2sccc2-n2cnnn2)CC(=O)N1
InChIInChI=1S/C10H8N6O3S/c17-7-3-15(4-8(18)12-7)10(19)9-6(1-2-20-9)16-5-11-13-14-16/h1-2,5H,3-4H2,(H,12,17,18)
InChIKeyZSOMLSWRPUDKQX-UHFFFAOYSA-N
XLogP-1.18
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione?
The IUPAC name of 4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione (CID 66085870) is 4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione?
The canonical SMILES for 4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione is O=C1CN(C(=O)c2sccc2-n2cnnn2)CC(=O)N1.
What is the InChIKey of 4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione?
The InChIKey is ZSOMLSWRPUDKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O3S/c17-7-3-15(4-8(18)12-7)10(19)9-6(1-2-20-9)16-5-11-13-14-16/h1-2,5H,3-4H2,(H,12,17,18).
What are the key properties of 4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione?
4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione has a molecular weight of 292.28 g/mol, XLogP of -1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione is sourced from PubChem (CID 66085870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).