5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole

C17H18N4OS — CID 8685909

IUPAC5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole
SMILESCOc1ccc(CCSc2nnnn2-c2ccccc2C)cc1
InChIInChI=1S/C17H18N4OS/c1-13-5-3-4-6-16(13)21-17(18-19-20-21)23-12-11-14-7-9-15(22-2)10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyGRGRSRXCVRNAER-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.31
Rot. Bonds6

About 5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole

5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole (PubChem CID 8685909) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole
PubChem CID8685909
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole
SMILESCOc1ccc(CCSc2nnnn2-c2ccccc2C)cc1
InChIInChI=1S/C17H18N4OS/c1-13-5-3-4-6-16(13)21-17(18-19-20-21)23-12-11-14-7-9-15(22-2)10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyGRGRSRXCVRNAER-UHFFFAOYSA-N
XLogP3.31
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole
CID 112780708
3-[2-(4-methoxyphenyl)ethylsulfanyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole
CID 40550171
5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 16508726
N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide
CID 17394512
(2R)-1-(4-methoxyphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 7646996
5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 8944164
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7647359
5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 17453452
3-[2-(4-methoxyphenyl)ethylsulfanyl]-4-methyl-1,2,4-triazole
CID 78763771
1-(2-methylphenyl)-5-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]tetrazole
CID 16508779
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 26644049

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole (CID 8685909) is 5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole is COc1ccc(CCSc2nnnn2-c2ccccc2C)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole?
The InChIKey is GRGRSRXCVRNAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-13-5-3-4-6-16(13)21-17(18-19-20-21)23-12-11-14-7-9-15(22-2)10-8-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole?
5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole has a molecular weight of 326.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole is sourced from PubChem (CID 8685909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).