1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole

C10H12N4OS — CID 8897883

IUPAC1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole
SMILESCOc1ccc(C)cc1-n1nnnc1SC
InChIInChI=1S/C10H12N4OS/c1-7-4-5-9(15-2)8(6-7)14-10(16-3)11-12-13-14/h4-6H,1-3H3
InChIKeyYIJAFZBXDOTJIC-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole

1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole (PubChem CID 8897883) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole
PubChem CID8897883
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole
SMILESCOc1ccc(C)cc1-n1nnnc1SC
InChIInChI=1S/C10H12N4OS/c1-7-4-5-9(15-2)8(6-7)14-10(16-3)11-12-13-14/h4-6H,1-3H3
InChIKeyYIJAFZBXDOTJIC-UHFFFAOYSA-N
XLogP1.70
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanenitrile
CID 2608905
1-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 2595136
5-[2-(2-fluorophenoxy)ethylsulfanyl]-1-(2-methoxy-5-methylphenyl)tetrazole
CID 2113935
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
1-(2,5-dimethoxyphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7628851
N-(2-methoxyethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2608749
(2S)-N-(4-fluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7449265
(2R)-N-(tert-butylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9461709
1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole
CID 2997968
N-butyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 8682840
2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2609141
N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2609128

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole (CID 8897883) is 1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole is COc1ccc(C)cc1-n1nnnc1SC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole?
The InChIKey is YIJAFZBXDOTJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-7-4-5-9(15-2)8(6-7)14-10(16-3)11-12-13-14/h4-6H,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole?
1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole has a molecular weight of 236.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole is sourced from PubChem (CID 8897883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).