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

C18H20N4O3S — CID 992688

IUPAC1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole
SMILESCOc1cc(CSc2nnnn2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20N4O3S/c1-12-5-7-14(8-6-12)22-18(19-20-21-22)26-11-13-9-15(23-2)17(25-4)16(10-13)24-3/h5-10H,11H2,1-4H3
InChIKeyZCOHOUIKFBCXOF-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.29
Rot. Bonds7

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

1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole (PubChem CID 992688) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole
PubChem CID992688
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole
SMILESCOc1cc(CSc2nnnn2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20N4O3S/c1-12-5-7-14(8-6-12)22-18(19-20-21-22)26-11-13-9-15(23-2)17(25-4)16(10-13)24-3/h5-10H,11H2,1-4H3
InChIKeyZCOHOUIKFBCXOF-UHFFFAOYSA-N
XLogP3.29
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole
CID 56945989
5-[(4-Methoxyphenyl)methylsulfanyl]-1-phenyltetrazole
CID 773480
5-[2-(2-Methoxyphenoxy)ethylthio]-1-(4-methylphenyl)tetrazole
CID 2258798
N-(2,3-dimethoxybenzyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanamine
CID 6485913
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine
CID 6485915
5-[(3-Methoxyphenyl)methylsulfonyl]-1-phenyltetrazole
CID 9548435
2-{[1-(3,5-Dimethoxyphenyl)-1,2,3,4-tetrazol-5-YL]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1175580
N-(2,4-dimethoxybenzyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanamine
CID 6485917
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(2,4,5-trimethoxybenzyl)ethanamine
CID 6485918
1-(2,4-Dimethylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole
CID 2725678
5-[2-(3,4-Dimethylphenoxy)ethylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2772592
5-(1,3-Benzodioxol-5-ylmethylsulfanyl)-1-phenyltetrazole
CID 828487

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole (CID 992688) is 1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole is COc1cc(CSc2nnnn2-c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole?
The InChIKey is ZCOHOUIKFBCXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12-5-7-14(8-6-12)22-18(19-20-21-22)26-11-13-9-15(23-2)17(25-4)16(10-13)24-3/h5-10H,11H2,1-4H3.
What are the key properties of 1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole?
1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole has a molecular weight of 372.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 992688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).