2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one

C12H13NO3S — CID 10060710

IUPAC2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
SMILESCCOc1nc2sc3c(c2c(=O)o1)CCCC3
InChIInChI=1S/C12H13NO3S/c1-2-15-12-13-10-9(11(14)16-12)7-5-3-4-6-8(7)17-10/h2-6H2,1H3
InChIKeyBPYYNTNEBZGWKO-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.53
Rot. Bonds2

About 2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one

2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one (PubChem CID 10060710) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
PubChem CID10060710
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
SMILESCCOc1nc2sc3c(c2c(=O)o1)CCCC3
InChIInChI=1S/C12H13NO3S/c1-2-15-12-13-10-9(11(14)16-12)7-5-3-4-6-8(7)17-10/h2-6H2,1H3
InChIKeyBPYYNTNEBZGWKO-UHFFFAOYSA-N
XLogP2.53
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one (CID 10060710) is 2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one is CCOc1nc2sc3c(c2c(=O)o1)CCCC3.
What is the InChIKey of 2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one?
The InChIKey is BPYYNTNEBZGWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-2-15-12-13-10-9(11(14)16-12)7-5-3-4-6-8(7)17-10/h2-6H2,1H3.
What are the key properties of 2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one?
2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one has a molecular weight of 251.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 10060710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).