2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid

C9H11NO3S — CID 82376453

IUPAC2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid
SMILESCC1CN(C)c2c(csc2C(=O)O)O1
InChIInChI=1S/C9H11NO3S/c1-5-3-10(2)7-6(13-5)4-14-8(7)9(11)12/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyHKUZHPBFXAKWBG-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.66
Rot. Bonds1

About 2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid

2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid (PubChem CID 82376453) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid
PubChem CID82376453
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid
SMILESCC1CN(C)c2c(csc2C(=O)O)O1
InChIInChI=1S/C9H11NO3S/c1-5-3-10(2)7-6(13-5)4-14-8(7)9(11)12/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyHKUZHPBFXAKWBG-UHFFFAOYSA-N
XLogP1.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid?
The IUPAC name of 2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid (CID 82376453) is 2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid is CC1CN(C)c2c(csc2C(=O)O)O1.
What is the InChIKey of 2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid?
The InChIKey is HKUZHPBFXAKWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-5-3-10(2)7-6(13-5)4-14-8(7)9(11)12/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of 2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid?
2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid is sourced from PubChem (CID 82376453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).