2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole

C16H16N4S — CID 892736

IUPAC2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole
SMILESCSc1ccc(-c2nnn(Cc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C16H16N4S/c1-12-3-5-13(6-4-12)11-20-18-16(17-19-20)14-7-9-15(21-2)10-8-14/h3-10H,11H2,1-2H3
InChIKeyRHMWRKDLECIFJJ-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.42
Rot. Bonds4

About 2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole

2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole (PubChem CID 892736) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole
PubChem CID892736
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole
SMILESCSc1ccc(-c2nnn(Cc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C16H16N4S/c1-12-3-5-13(6-4-12)11-20-18-16(17-19-20)14-7-9-15(21-2)10-8-14/h3-10H,11H2,1-2H3
InChIKeyRHMWRKDLECIFJJ-UHFFFAOYSA-N
XLogP3.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromobenzyl)-5-[4-(methylthio)phenyl]-2H-tetrazole
CID 1293615
5-[4-(Methylthio)phenyl]-1H-tetrazole
CID 4772872
2-(4-methylbenzyl)-5-(2-methylphenyl)-2H-tetrazole
CID 2222580
S-(2,4-difluorophenyl) 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanethioate
CID 2745011
2-[2-(Benzenesulfonyl)ethyl]-5-phenyltetrazole
CID 60592759
3-(3-Fluoropropyl)-6-[4-(methylthio)phenyl]-1,2,4,5-tetrazine
CID 169409397
2-Benzyl-5-(4-methylsulfonylphenyl)tetrazole
CID 2986356
N-[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfanylethanamine
CID 156509995
5-(4-Ethylsulfonylphenyl)-2-[(4-fluorophenyl)methyl]tetrazole
CID 159643049
5-(4-Methylphenyl)-2-[2-(e)-phenylethenyl] tetrazole
CID 129750041
(E)-5-(3,5-Dimethylphenyl)-N-[4-(methylsulfanyl)benzylidene]-1,3,4-thiadiazol-2-amine
CID 139078227
2-[(4-Methylsulfanylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole
CID 2569229

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole?
The IUPAC name of 2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole (CID 892736) is 2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole is CSc1ccc(-c2nnn(Cc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole?
The InChIKey is RHMWRKDLECIFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-12-3-5-13(6-4-12)11-20-18-16(17-19-20)14-7-9-15(21-2)10-8-14/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole?
2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole has a molecular weight of 296.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-5-(4-methylsulfanylphenyl)tetrazole is sourced from PubChem (CID 892736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).