6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione

C8H7NO3S — CID 170859770

IUPAC6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione
SMILESCCc1cc2c(=O)oc(=O)[nH]c2s1
InChIInChI=1S/C8H7NO3S/c1-2-4-3-5-6(13-4)9-8(11)12-7(5)10/h3H,2H2,1H3,(H,9,11)
InChIKeyXNXNEHQSUYAEIN-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.11
Rot. Bonds1

About 6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione

6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione (PubChem CID 170859770) has the molecular formula C8H7NO3S and a molecular weight of 197.21 g/mol. Its IUPAC name is 6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione
PubChem CID170859770
Molecular FormulaC8H7NO3S
Molecular Weight197.21 g/mol
Exact Mass197.01
IUPAC Name6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione
SMILESCCc1cc2c(=O)oc(=O)[nH]c2s1
InChIInChI=1S/C8H7NO3S/c1-2-4-3-5-6(13-4)9-8(11)12-7(5)10/h3H,2H2,1H3,(H,9,11)
InChIKeyXNXNEHQSUYAEIN-UHFFFAOYSA-N
XLogP1.11
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione with MolForge

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Related Compounds

3-(1-aminopropan-2-yl)-6-ethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 82342009
methyl 2-(6-ethyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl)propanoate
CID 59351712
2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 19100425
6-ethyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 59351643
3-(4-chlorophenyl)-6-ethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 2877386
6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one
CID 92993671
6-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 22493297
3-[(4-chlorophenyl)methyl]-6-ethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 4511099
6-butan-2-yl-1H-3,1-benzoxazine-2,4-dione
CID 63109421
6-ethyl-3-(4-methoxyphenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 3299554
6,7,8-trifluoro-1H-3,1-benzoxazine-2,4-dione
CID 63109413
2-ethyl-4,6-dimethylthieno[2,3-c]furan
CID 15474052

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione?
The IUPAC name of 6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione (CID 170859770) is 6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione.
What is the SMILES notation for 6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione?
The canonical SMILES for 6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione is CCc1cc2c(=O)oc(=O)[nH]c2s1.
What is the InChIKey of 6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione?
The InChIKey is XNXNEHQSUYAEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S/c1-2-4-3-5-6(13-4)9-8(11)12-7(5)10/h3H,2H2,1H3,(H,9,11).
What are the key properties of 6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione?
6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione has a molecular weight of 197.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 170859770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).