N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide

C13H13N5O2S2 — CID 95801873

IUPACN-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C13H13N5O2S2/c19-11(9-10-3-1-7-21-10)14-5-6-17-13(20)18(16-15-17)12-4-2-8-22-12/h1-4,7-8H,5-6,9H2,(H,14,19)
InChIKeyRIVKRDMGSOPBMQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.91
Rot. Bonds6

About N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 95801873) has the molecular formula C13H13N5O2S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID95801873
Molecular FormulaC13H13N5O2S2
Molecular Weight335.41 g/mol
Exact Mass335.05
IUPAC NameN-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C13H13N5O2S2/c19-11(9-10-3-1-7-21-10)14-5-6-17-13(20)18(16-15-17)12-4-2-8-22-12/h1-4,7-8H,5-6,9H2,(H,14,19)
InChIKeyRIVKRDMGSOPBMQ-UHFFFAOYSA-N
XLogP0.91
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide (CID 95801873) is N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCn1nnn(-c2cccs2)c1=O.
What is the InChIKey of N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is RIVKRDMGSOPBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S2/c19-11(9-10-3-1-7-21-10)14-5-6-17-13(20)18(16-15-17)12-4-2-8-22-12/h1-4,7-8H,5-6,9H2,(H,14,19).
What are the key properties of N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 335.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 95801873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).