3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one

C13H12N2O3S2 — CID 71998292

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one
SMILESCc1csc(CN2C(=O)c3ccccc3CS2(=O)=O)n1
InChIInChI=1S/C13H12N2O3S2/c1-9-7-19-12(14-9)6-15-13(16)11-5-3-2-4-10(11)8-20(15,17)18/h2-5,7H,6,8H2,1H3
InChIKeyLRULZBYSECELBX-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.94
Rot. Bonds2

About 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one

3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one (PubChem CID 71998292) has the molecular formula C13H12N2O3S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one
PubChem CID71998292
Molecular FormulaC13H12N2O3S2
Molecular Weight308.38 g/mol
Exact Mass308.03
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one
SMILESCc1csc(CN2C(=O)c3ccccc3CS2(=O)=O)n1
InChIInChI=1S/C13H12N2O3S2/c1-9-7-19-12(14-9)6-15-13(16)11-5-3-2-4-10(11)8-20(15,17)18/h2-5,7H,6,8H2,1H3
InChIKeyLRULZBYSECELBX-UHFFFAOYSA-N
XLogP1.94
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one with MolForge

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Related Compounds

3-[(1-methylimidazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one
CID 71970822
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione
CID 1497777
4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one
CID 25470230
2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9324948
2-[(4-chloro-1,3-thiazol-2-yl)methyl]-7-methyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 167901706
N-(4-methyl-1,3-thiazol-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 7422975
2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one
CID 51100936
1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one
CID 39948807
1-(2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484520
2-benzyl-4-methyl-1,3-thiazole;ethane
CID 91344843
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315920

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one (CID 71998292) is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one is Cc1csc(CN2C(=O)c3ccccc3CS2(=O)=O)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one?
The InChIKey is LRULZBYSECELBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S2/c1-9-7-19-12(14-9)6-15-13(16)11-5-3-2-4-10(11)8-20(15,17)18/h2-5,7H,6,8H2,1H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one?
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one has a molecular weight of 308.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one is sourced from PubChem (CID 71998292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).