5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one

C13H12N2OS2 — CID 86101521

IUPAC5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one
SMILESCc1ccc(-c2nc3c(s2)NC(=O)C(C)S3)cc1
InChIInChI=1S/C13H12N2OS2/c1-7-3-5-9(6-4-7)11-15-13-12(18-11)14-10(16)8(2)17-13/h3-6,8H,1-2H3,(H,14,16)
InChIKeyDYYJEXCIYJXAEM-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.55
Rot. Bonds1

About 5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one

5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one (PubChem CID 86101521) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one
PubChem CID86101521
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one
SMILESCc1ccc(-c2nc3c(s2)NC(=O)C(C)S3)cc1
InChIInChI=1S/C13H12N2OS2/c1-7-3-5-9(6-4-7)11-15-13-12(18-11)14-10(16)8(2)17-13/h3-6,8H,1-2H3,(H,14,16)
InChIKeyDYYJEXCIYJXAEM-UHFFFAOYSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 114827396
3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione
CID 90766086
(2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136822477
(2Z,5R)-5-methyl-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851403
(2Z,5S)-5-methyl-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135852057
2,2,4,4-tetramethyl-6-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclohexane-1,3,5-trione
CID 59562436
2-(4-methylphenyl)-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 59238505
5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733027
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-amine
CID 15123518
(2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one
CID 2378313
5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one (CID 86101521) is 5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one is Cc1ccc(-c2nc3c(s2)NC(=O)C(C)S3)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one?
The InChIKey is DYYJEXCIYJXAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-7-3-5-9(6-4-7)11-15-13-12(18-11)14-10(16)8(2)17-13/h3-6,8H,1-2H3,(H,14,16).
What are the key properties of 5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one?
5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one has a molecular weight of 276.39 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one is sourced from PubChem (CID 86101521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).