2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C10H11N5O2S — CID 864595

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(N)=O)cc1
InChIInChI=1S/C10H11N5O2S/c1-17-8-4-2-7(3-5-8)15-10(12-13-14-15)18-6-9(11)16/h2-5H,6H2,1H3,(H2,11,16)
InChIKeyOWMNBAJRVHSHIY-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.25
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 864595) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID864595
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(N)=O)cc1
InChIInChI=1S/C10H11N5O2S/c1-17-8-4-2-7(3-5-8)15-10(12-13-14-15)18-6-9(11)16/h2-5H,6H2,1H3,(H2,11,16)
InChIKeyOWMNBAJRVHSHIY-UHFFFAOYSA-N
XLogP0.25
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 864595) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(-n2nnnc2SCC(N)=O)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is OWMNBAJRVHSHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-17-8-4-2-7(3-5-8)15-10(12-13-14-15)18-6-9(11)16/h2-5H,6H2,1H3,(H2,11,16).
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 265.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 864595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).