1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole

C18H17FN4O2S — CID 26297819

IUPAC1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole
SMILESCc1ccc(-n2nnnc2SCc2cc(F)cc3c2OCOC3)c(C)c1
InChIInChI=1S/C18H17FN4O2S/c1-11-3-4-16(12(2)5-11)23-18(20-21-22-23)26-9-14-7-15(19)6-13-8-24-10-25-17(13)14/h3-7H,8-10H2,1-2H3
InChIKeyWDBOFNOKXMJVSF-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.58
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole

1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole (PubChem CID 26297819) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole
PubChem CID26297819
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole
SMILESCc1ccc(-n2nnnc2SCc2cc(F)cc3c2OCOC3)c(C)c1
InChIInChI=1S/C18H17FN4O2S/c1-11-3-4-16(12(2)5-11)23-18(20-21-22-23)26-9-14-7-15(19)6-13-8-24-10-25-17(13)14/h3-7H,8-10H2,1-2H3
InChIKeyWDBOFNOKXMJVSF-UHFFFAOYSA-N
XLogP3.58
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,4-dimethylphenyl)-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole
CID 17437950
1-tert-butyl-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole
CID 9381535
5-[(2-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 696926
2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 17403499
3-(4-tert-butylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 24521404
1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 7352304
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121
1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole
CID 4811763
5-[(4-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 2485632
1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole
CID 97222986
5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 8944164
1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole
CID 7878057

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole (CID 26297819) is 1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole is Cc1ccc(-n2nnnc2SCc2cc(F)cc3c2OCOC3)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole?
The InChIKey is WDBOFNOKXMJVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-11-3-4-16(12(2)5-11)23-18(20-21-22-23)26-9-14-7-15(19)6-13-8-24-10-25-17(13)14/h3-7H,8-10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole?
1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole has a molecular weight of 372.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]tetrazole is sourced from PubChem (CID 26297819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).