6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid

C11H14N2O3S — CID 82377608

IUPAC6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid
SMILESCC(C)C1Sc2c(cn(C)c2C(=O)O)NC1=O
InChIInChI=1S/C11H14N2O3S/c1-5(2)8-10(14)12-6-4-13(3)7(11(15)16)9(6)17-8/h4-5,8H,1-3H3,(H,12,14)(H,15,16)
InChIKeyRWRSCLFRUSNAGA-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.79
Rot. Bonds2

About 6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid

6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid (PubChem CID 82377608) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid
PubChem CID82377608
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid
SMILESCC(C)C1Sc2c(cn(C)c2C(=O)O)NC1=O
InChIInChI=1S/C11H14N2O3S/c1-5(2)8-10(14)12-6-4-13(3)7(11(15)16)9(6)17-8/h4-5,8H,1-3H3,(H,12,14)(H,15,16)
InChIKeyRWRSCLFRUSNAGA-UHFFFAOYSA-N
XLogP1.79
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid with MolForge

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Related Compounds

3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]thiazine-5-carboxylic acid
CID 82377413
2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
CID 82377601
6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid
CID 82375752
6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
CID 82377604
2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
CID 173496185
5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292365
2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoate
CID 78429784
2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292366
(5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135566336
3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 105356083
6-methyl-2-pentan-3-yl-3,4-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
CID 82377706
5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 101057113

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid?
The IUPAC name of 6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid (CID 82377608) is 6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid.
What is the SMILES notation for 6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid?
The canonical SMILES for 6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid is CC(C)C1Sc2c(cn(C)c2C(=O)O)NC1=O.
What is the InChIKey of 6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid?
The InChIKey is RWRSCLFRUSNAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-5(2)8-10(14)12-6-4-13(3)7(11(15)16)9(6)17-8/h4-5,8H,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid?
6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid is sourced from PubChem (CID 82377608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).