N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C8H9N5O2S — CID 60709492

IUPACN-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESCONC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C8H9N5O2S/c1-15-11-7(14)4-13-10-8(9-12-13)6-2-3-16-5-6/h2-3,5H,4H2,1H3,(H,11,14)
InChIKeyCFRZPGGZUKMYDM-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.08
Rot. Bonds4

About N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 60709492) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID60709492
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC NameN-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESCONC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C8H9N5O2S/c1-15-11-7(14)4-13-10-8(9-12-13)6-2-3-16-5-6/h2-3,5H,4H2,1H3,(H,11,14)
InChIKeyCFRZPGGZUKMYDM-UHFFFAOYSA-N
XLogP0.08
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942
N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128117
N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115628398
N-(5-hydroxypentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 107318628
4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 43245246
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide
CID 9128168
3-methyl-4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 81065022
2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216097

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 60709492) is N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is CONC(=O)Cn1nnc(-c2ccsc2)n1.
What is the InChIKey of N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is CFRZPGGZUKMYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-15-11-7(14)4-13-10-8(9-12-13)6-2-3-16-5-6/h2-3,5H,4H2,1H3,(H,11,14).
What are the key properties of N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 239.26 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 60709492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).