1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole

C19H22N4O3S — CID 2725678

IUPAC1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole
SMILESCOc1cc(CSc2nnnn2-c2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C19H22N4O3S/c1-12-6-7-15(13(2)8-12)23-19(20-21-22-23)27-11-14-9-16(24-3)18(26-5)17(10-14)25-4/h6-10H,11H2,1-5H3
InChIKeyUHTSOKQSTRFBKO-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.60
Rot. Bonds7

About 1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole

1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole (PubChem CID 2725678) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole
PubChem CID2725678
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole
SMILESCOc1cc(CSc2nnnn2-c2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C19H22N4O3S/c1-12-6-7-15(13(2)8-12)23-19(20-21-22-23)27-11-14-9-16(24-3)18(26-5)17(10-14)25-4/h6-10H,11H2,1-5H3
InChIKeyUHTSOKQSTRFBKO-UHFFFAOYSA-N
XLogP3.60
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole (CID 2725678) is 1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole is COc1cc(CSc2nnnn2-c2ccc(C)cc2C)cc(OC)c1OC.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole?
The InChIKey is UHTSOKQSTRFBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12-6-7-15(13(2)8-12)23-19(20-21-22-23)27-11-14-9-16(24-3)18(26-5)17(10-14)25-4/h6-10H,11H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole?
1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole has a molecular weight of 386.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 2725678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).