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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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
1-(2,6-Dimethylphenyl)-5-methylsulfanyltetrazole
CID 576491
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
7-[[[1-(2-Methylphenyl)-5-tetrazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone
CID 2446182
1-Mesityl-5-(methylthio)-1H-tetrazole
CID 2725598
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 9467462
N-(2-chlorophenyl)-2-(1-mesityl-1H-tetrazol-5-ylthio)acetamide
CID 2810449
2-(1-mesityl-1H-tetrazol-5-ylthio)-N-(2-nitrophenyl)acetamide
CID 5275061
N-(2-iodophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11691481
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetohydrazide
CID 671673
isopropyl 1-mesityl-1H-tetraazol-5-yl sulfide
CID 465091
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332

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).