2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide

C12H15N3O3S — CID 10636536

IUPAC2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide
SMILESCCN(CC)c1nc2sc(C(N)=O)c(C)c2c(=O)o1
InChIInChI=1S/C12H15N3O3S/c1-4-15(5-2)12-14-10-7(11(17)18-12)6(3)8(19-10)9(13)16/h4-5H2,1-3H3,(H2,13,16)
InChIKeyIBNVKZPFJZTZCA-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.50
Rot. Bonds4

About 2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide

2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide (PubChem CID 10636536) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide
PubChem CID10636536
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide
SMILESCCN(CC)c1nc2sc(C(N)=O)c(C)c2c(=O)o1
InChIInChI=1S/C12H15N3O3S/c1-4-15(5-2)12-14-10-7(11(17)18-12)6(3)8(19-10)9(13)16/h4-5H2,1-3H3,(H2,13,16)
InChIKeyIBNVKZPFJZTZCA-UHFFFAOYSA-N
XLogP1.50
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 655202
Ethyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 602880
2-Diethylamino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d][1,3]oxazin-4-one
CID 10378134
Ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
Methyl 3-amino-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 722597
Ethyl 3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxylate
CID 785253
2-Diethylamino-5-isopropyl-thieno[2,3-d][1,3]oxazin-4-one
CID 10264928
Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 671084
Ethyl 1,4-dihydro-2,5-dimethyl-4-oxothieno(2,3-d)pyrimidine-6-carboxylate
CID 336248
Ethyl 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 698635
Ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 735026
5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester
CID 733576

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide?
The IUPAC name of 2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide (CID 10636536) is 2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide.
What is the SMILES notation for 2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide?
The canonical SMILES for 2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide is CCN(CC)c1nc2sc(C(N)=O)c(C)c2c(=O)o1.
What is the InChIKey of 2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide?
The InChIKey is IBNVKZPFJZTZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-4-15(5-2)12-14-10-7(11(17)18-12)6(3)8(19-10)9(13)16/h4-5H2,1-3H3,(H2,13,16).
What are the key properties of 2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide?
2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide is sourced from PubChem (CID 10636536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).