2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one

C10H11NO2S2 — CID 10331933

IUPAC2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCSc1nc2sc(C)c(C)c2c(=O)o1
InChIInChI=1S/C10H11NO2S2/c1-4-14-10-11-8-7(9(12)13-10)5(2)6(3)15-8/h4H2,1-3H3
InChIKeyKAMWWWFNGJUCBD-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.98
Rot. Bonds2

About 2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one

2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 10331933) has the molecular formula C10H11NO2S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID10331933
Molecular FormulaC10H11NO2S2
Molecular Weight241.34 g/mol
Exact Mass241.02
IUPAC Name2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCSc1nc2sc(C)c(C)c2c(=O)o1
InChIInChI=1S/C10H11NO2S2/c1-4-14-10-11-8-7(9(12)13-10)5(2)6(3)15-8/h4H2,1-3H3
InChIKeyKAMWWWFNGJUCBD-UHFFFAOYSA-N
XLogP2.98
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carboxylate
CID 4961635
ethyl 2-amino-6,6-dioxo-4H,5H,7H-6lambda6-thieno[2,3-c]thiopyran-3-carboxylate
CID 2998518
5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
CID 384428
Ethyl 2-amino-4,5-dimethyl3-thenoate
CID 78536
2,5,6-Trimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 384431
(5,6-Dimethyl-4-oxo-4H-thieno[2,3-d][1,3]oxazin-2-ylsulfanyl)-acetic acid methyl ester
CID 10517251
2-Benzylsulfanyl-5,6-dimethyl-thieno[2,3-d][1,3]oxazin-4-one
CID 10518548
2-Ethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
CID 10635550
5,6-Dimethyl-2-methylsulfanyl-thieno[2,3-d][1,3]oxazin-4-one
CID 10728016
2-Methylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one
CID 10729570
Methyl 2-[(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-2-yl)sulfanyl]acetate
CID 10733818
5,6-Dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 805244

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one (CID 10331933) is 2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one is CCSc1nc2sc(C)c(C)c2c(=O)o1.
What is the InChIKey of 2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is KAMWWWFNGJUCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S2/c1-4-14-10-11-8-7(9(12)13-10)5(2)6(3)15-8/h4H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one?
2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 241.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 10331933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).