2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C11H13N5O3S — CID 859389

IUPAC2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cc(OC)cc(-n2nnnc2SCC(N)=O)c1
InChIInChI=1S/C11H13N5O3S/c1-18-8-3-7(4-9(5-8)19-2)16-11(13-14-15-16)20-6-10(12)17/h3-5H,6H2,1-2H3,(H2,12,17)
InChIKeyZDYLPQSXXYTMGY-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.26
Rot. Bonds6

About 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 859389) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID859389
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cc(OC)cc(-n2nnnc2SCC(N)=O)c1
InChIInChI=1S/C11H13N5O3S/c1-18-8-3-7(4-9(5-8)19-2)16-11(13-14-15-16)20-6-10(12)17/h3-5H,6H2,1-2H3,(H2,12,17)
InChIKeyZDYLPQSXXYTMGY-UHFFFAOYSA-N
XLogP0.26
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 1175583
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132766
N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175567
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 8805938
2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 5017044
2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
CID 6460651
3-[5-(2-amino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
CID 4226066
ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate
CID 649339
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CID 7661551
1-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 649108
1-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 35396036
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone
CID 713698

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 859389) is 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1cc(OC)cc(-n2nnnc2SCC(N)=O)c1.
What is the InChIKey of 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is ZDYLPQSXXYTMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-18-8-3-7(4-9(5-8)19-2)16-11(13-14-15-16)20-6-10(12)17/h3-5H,6H2,1-2H3,(H2,12,17).
What are the key properties of 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 295.32 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 859389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).