1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole

C17H18N4S — CID 84888464

IUPAC1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole
SMILESCc1ccc(-n2nnnc2SC(C)c2ccccc2)cc1C
InChIInChI=1S/C17H18N4S/c1-12-9-10-16(11-13(12)2)21-17(18-19-20-21)22-14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3
InChIKeyYILNLLSBAQWHMB-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.13
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole

1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole (PubChem CID 84888464) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole
PubChem CID84888464
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole
SMILESCc1ccc(-n2nnnc2SC(C)c2ccccc2)cc1C
InChIInChI=1S/C17H18N4S/c1-12-9-10-16(11-13(12)2)21-17(18-19-20-21)22-14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3
InChIKeyYILNLLSBAQWHMB-UHFFFAOYSA-N
XLogP4.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)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

5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole
CID 7534712
1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8859984
1-(2,3-dimethylphenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8798481
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7534488
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51210281
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-2-phenylbutyl]propanamide
CID 8725573
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7534634
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylphenyl)propan-1-one
CID 78519772
(2S)-N-(2-chlorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9382865
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7661580
(2R)-N-(4-chlorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7661558
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 55368874

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole (CID 84888464) is 1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole is Cc1ccc(-n2nnnc2SC(C)c2ccccc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole?
The InChIKey is YILNLLSBAQWHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-12-9-10-16(11-13(12)2)21-17(18-19-20-21)22-14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole?
1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole has a molecular weight of 310.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole is sourced from PubChem (CID 84888464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).