2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C10H11N5OS — CID 2388289

IUPAC2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccccc1-n1nnnc1SCC(N)=O
InChIInChI=1S/C10H11N5OS/c1-7-4-2-3-5-8(7)15-10(12-13-14-15)17-6-9(11)16/h2-5H,6H2,1H3,(H2,11,16)
InChIKeyAFECKXLBVQWAEB-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.55
Rot. Bonds4

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

2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2388289) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2388289
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccccc1-n1nnnc1SCC(N)=O
InChIInChI=1S/C10H11N5OS/c1-7-4-2-3-5-8(7)15-10(12-13-14-15)17-6-9(11)16/h2-5H,6H2,1H3,(H2,11,16)
InChIKeyAFECKXLBVQWAEB-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-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2388289) is 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccccc1-n1nnnc1SCC(N)=O.
What is the InChIKey of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is AFECKXLBVQWAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-7-4-2-3-5-8(7)15-10(12-13-14-15)17-6-9(11)16/h2-5H,6H2,1H3,(H2,11,16).
What are the key properties of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide 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-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2388289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).