ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate

C13H16N4O4S — CID 649339

IUPACethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate
SMILESCCOC(=O)CSc1nnnn1-c1cc(OC)ccc1OC
InChIInChI=1S/C13H16N4O4S/c1-4-21-12(18)8-22-13-14-15-16-17(13)10-7-9(19-2)5-6-11(10)20-3/h5-7H,4,8H2,1-3H3
InChIKeyUEBSXYXUXONPLH-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.33
Rot. Bonds7

About ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate

ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate (PubChem CID 649339) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate
PubChem CID649339
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC Nameethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate
SMILESCCOC(=O)CSc1nnnn1-c1cc(OC)ccc1OC
InChIInChI=1S/C13H16N4O4S/c1-4-21-12(18)8-22-13-14-15-16-17(13)10-7-9(19-2)5-6-11(10)20-3/h5-7H,4,8H2,1-3H3
InChIKeyUEBSXYXUXONPLH-UHFFFAOYSA-N
XLogP1.33
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethoxyphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7628851
N-(2,4-dimethoxyphenyl)-2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175422
(2,5-dimethoxyphenyl)methyl 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 8581660
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1175418
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 3189414
ethyl 1-[2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 16534943
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1175435
1-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 2595136
N-butyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 8682840
1-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 649108
2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 1175482
2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 859389

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate?
The IUPAC name of ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate (CID 649339) is ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate?
The canonical SMILES for ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate is CCOC(=O)CSc1nnnn1-c1cc(OC)ccc1OC.
What is the InChIKey of ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate?
The InChIKey is UEBSXYXUXONPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-4-21-12(18)8-22-13-14-15-16-17(13)10-7-9(19-2)5-6-11(10)20-3/h5-7H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate?
ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate has a molecular weight of 324.36 g/mol, XLogP of 1.33, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetate is sourced from PubChem (CID 649339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).