2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide

C10H11N5OS — CID 795658

IUPAC2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide
SMILESCSc1ccc(-c2nnn(CC(N)=O)n2)cc1
InChIInChI=1S/C10H11N5OS/c1-17-8-4-2-7(3-5-8)10-12-14-15(13-10)6-9(11)16/h2-5H,6H2,1H3,(H2,11,16)
InChIKeyPEPZQLLHTVSHPG-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.55
Rot. Bonds4

About 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide

2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide (PubChem CID 795658) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide
PubChem CID795658
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide
SMILESCSc1ccc(-c2nnn(CC(N)=O)n2)cc1
InChIInChI=1S/C10H11N5OS/c1-17-8-4-2-7(3-5-8)10-12-14-15(13-10)6-9(11)16/h2-5H,6H2,1H3,(H2,11,16)
InChIKeyPEPZQLLHTVSHPG-UHFFFAOYSA-N
XLogP0.55
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide (CID 795658) is 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide is CSc1ccc(-c2nnn(CC(N)=O)n2)cc1.
What is the InChIKey of 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is PEPZQLLHTVSHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-17-8-4-2-7(3-5-8)10-12-14-15(13-10)6-9(11)16/h2-5H,6H2,1H3,(H2,11,16).
What are the key properties of 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide?
2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 249.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 795658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).