2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid

C8H7NO4S — CID 82376415

IUPAC2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid
SMILESCC1Oc2csc(C(=O)O)c2NC1=O
InChIInChI=1S/C8H7NO4S/c1-3-7(10)9-5-4(13-3)2-14-6(5)8(11)12/h2-3H,1H3,(H,9,10)(H,11,12)
InChIKeyASENDWCDYZKLEM-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.17
Rot. Bonds1

About 2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid

2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid (PubChem CID 82376415) has the molecular formula C8H7NO4S and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid
PubChem CID82376415
Molecular FormulaC8H7NO4S
Molecular Weight213.21 g/mol
Exact Mass213.01
IUPAC Name2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid
SMILESCC1Oc2csc(C(=O)O)c2NC1=O
InChIInChI=1S/C8H7NO4S/c1-3-7(10)9-5-4(13-3)2-14-6(5)8(11)12/h2-3H,1H3,(H,9,10)(H,11,12)
InChIKeyASENDWCDYZKLEM-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid 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

2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid
CID 82275003
2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid
CID 82375595
3-amino-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanoic acid
CID 82486288
2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82376453
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetic acid
CID 96672277
spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid
CID 82376580
spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclohexane]-5-carboxylic acid
CID 82376578
2-methyl-5-pyrrolidin-1-yl-4H-1,4-benzoxazin-3-one
CID 168513850
3-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanoic acid
CID 82485901
2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117000701
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 46616611

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid?
The IUPAC name of 2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid (CID 82376415) is 2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid is CC1Oc2csc(C(=O)O)c2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid?
The InChIKey is ASENDWCDYZKLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4S/c1-3-7(10)9-5-4(13-3)2-14-6(5)8(11)12/h2-3H,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid?
2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid has a molecular weight of 213.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid is sourced from PubChem (CID 82376415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).