1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole

C17H17FN4OS — CID 4811763

IUPAC1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole
SMILESCc1ccc(-n2nnnc2SCCOc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H17FN4OS/c1-12-3-8-16(13(2)11-12)22-17(19-20-21-22)24-10-9-23-15-6-4-14(18)5-7-15/h3-8,11H,9-10H2,1-2H3
InChIKeyCCOXZYZWGJSCMC-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.59
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole

1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole (PubChem CID 4811763) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole
PubChem CID4811763
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole
SMILESCc1ccc(-n2nnnc2SCCOc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H17FN4OS/c1-12-3-8-16(13(2)11-12)22-17(19-20-21-22)24-10-9-23-15-6-4-14(18)5-7-15/h3-8,11H,9-10H2,1-2H3
InChIKeyCCOXZYZWGJSCMC-UHFFFAOYSA-N
XLogP3.59
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole 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-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole
CID 112776173
4-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931313
butyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 84602659
5-[2-(2-fluorophenoxy)ethylsulfanyl]-1-(2-methoxy-5-methylphenyl)tetrazole
CID 2113935
N-[2-(4-bromophenoxy)ethyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 37284762
4-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylbutanenitrile
CID 84602417
3-(2,4-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethylsulfanyl]quinazolin-4-one
CID 7843936
1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole
CID 97222986
2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 17403499
cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 858448
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 3463439
1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 7352304

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole (CID 4811763) is 1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole is Cc1ccc(-n2nnnc2SCCOc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole?
The InChIKey is CCOXZYZWGJSCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-12-3-8-16(13(2)11-12)22-17(19-20-21-22)24-10-9-23-15-6-4-14(18)5-7-15/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole?
1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole has a molecular weight of 344.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole is sourced from PubChem (CID 4811763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).