2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C13H13N3O2S — CID 82357968

IUPAC2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(C)c(OCc2nc3n(n2)C(=O)CS3)c1
InChIInChI=1S/C13H13N3O2S/c1-8-3-4-9(2)10(5-8)18-6-11-14-13-16(15-11)12(17)7-19-13/h3-5H,6-7H2,1-2H3
InChIKeyLJBBGYJSMDNZQQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.22
Rot. Bonds3

About 2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 82357968) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID82357968
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(C)c(OCc2nc3n(n2)C(=O)CS3)c1
InChIInChI=1S/C13H13N3O2S/c1-8-3-4-9(2)10(5-8)18-6-11-14-13-16(15-11)12(17)7-19-13/h3-5H,6-7H2,1-2H3
InChIKeyLJBBGYJSMDNZQQ-UHFFFAOYSA-N
XLogP2.22
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one 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-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
CID 82129078
1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
CID 82085211
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82302284
1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone
CID 16641365
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62193522
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]acetonitrile
CID 39151486
[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 82133754
2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 154754926
5-[(2,5-dimethylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 3854887
5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685779

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 82357968) is 2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccc(C)c(OCc2nc3n(n2)C(=O)CS3)c1.
What is the InChIKey of 2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is LJBBGYJSMDNZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-8-3-4-9(2)10(5-8)18-6-11-14-13-16(15-11)12(17)7-19-13/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 275.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 82357968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).