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

C11H13N5OS — CID 939027

IUPAC2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(N)=O)c(C)c1
InChIInChI=1S/C11H13N5OS/c1-7-3-4-9(8(2)5-7)16-11(13-14-15-16)18-6-10(12)17/h3-5H,6H2,1-2H3,(H2,12,17)
InChIKeyJAVOJYTXWZZRJT-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.86
Rot. Bonds4

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

2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 939027) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID939027
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(N)=O)c(C)c1
InChIInChI=1S/C11H13N5OS/c1-7-3-4-9(8(2)5-7)16-11(13-14-15-16)18-6-10(12)17/h3-5H,6H2,1-2H3,(H2,12,17)
InChIKeyJAVOJYTXWZZRJT-UHFFFAOYSA-N
XLogP0.86
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 939027) is 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(N)=O)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is JAVOJYTXWZZRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7-3-4-9(8(2)5-7)16-11(13-14-15-16)18-6-10(12)17/h3-5H,6H2,1-2H3,(H2,12,17).
What are the key properties of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 263.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 939027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).