ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate

C11H11NO4S — CID 13121567

IUPACethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2sc(C)c(C)c2c(=O)o1
InChIInChI=1S/C11H11NO4S/c1-4-15-11(14)8-12-9-7(10(13)16-8)5(2)6(3)17-9/h4H2,1-3H3
InChIKeyDNHWSNZMCYBRAB-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.04
Rot. Bonds2

About ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate

ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate (PubChem CID 13121567) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate
PubChem CID13121567
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Nameethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2sc(C)c(C)c2c(=O)o1
InChIInChI=1S/C11H11NO4S/c1-4-15-11(14)8-12-9-7(10(13)16-8)5(2)6(3)17-9/h4H2,1-3H3
InChIKeyDNHWSNZMCYBRAB-UHFFFAOYSA-N
XLogP2.04
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
CID 139788293
ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate
CID 59298517
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
CID 10513471
ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
CID 9251221
ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979552
ethyl 2-(3-amino-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate
CID 10592325
2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
CID 82033891
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 16571543
ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979555
ethyl 2-(4,5-dimethyl-2-oxo-6,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-12-yl)acetate
CID 694417
ethyl 1-methyl-4-oxopyrazolo[5,4-d][1,3]oxazine-6-carboxylate;ethyl 1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxylate
CID 158461577
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate?
The IUPAC name of ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate (CID 13121567) is ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate.
What is the SMILES notation for ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate?
The canonical SMILES for ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate is CCOC(=O)c1nc2sc(C)c(C)c2c(=O)o1.
What is the InChIKey of ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate?
The InChIKey is DNHWSNZMCYBRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-4-15-11(14)8-12-9-7(10(13)16-8)5(2)6(3)17-9/h4H2,1-3H3.
What are the key properties of ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate?
ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate has a molecular weight of 253.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazine-2-carboxylate is sourced from PubChem (CID 13121567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).