6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole

C13H15N3OS — CID 4042187

IUPAC6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCc1ccccc1OCc1nnc2n1CC(C)S2
InChIInChI=1S/C13H15N3OS/c1-9-5-3-4-6-11(9)17-8-12-14-15-13-16(12)7-10(2)18-13/h3-6,10H,7-8H2,1-2H3
InChIKeyXAFUFPLEHHQOGE-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.66
Rot. Bonds3

About 6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole

6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 4042187) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID4042187
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCc1ccccc1OCc1nnc2n1CC(C)S2
InChIInChI=1S/C13H15N3OS/c1-9-5-3-4-6-11(9)17-8-12-14-15-13-16(12)7-10(2)18-13/h3-6,10H,7-8H2,1-2H3
InChIKeyXAFUFPLEHHQOGE-UHFFFAOYSA-N
XLogP2.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 4042187) is 6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole is Cc1ccccc1OCc1nnc2n1CC(C)S2.
What is the InChIKey of 6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is XAFUFPLEHHQOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-5-3-4-6-11(9)17-8-12-14-15-13-16(12)7-10(2)18-13/h3-6,10H,7-8H2,1-2H3.
What are the key properties of 6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 261.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2-methylphenoxy)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 4042187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).