ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate

C16H17NO3S2 — CID 139915506

IUPACethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
SMILESCCOC(=O)C1=C2SC(Cc3ccccc3)C(=O)N2CCS1
InChIInChI=1S/C16H17NO3S2/c1-2-20-16(19)13-15-17(8-9-21-13)14(18)12(22-15)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyKREICGNNXUOXIA-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.65
Rot. Bonds4

About ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate

ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate (PubChem CID 139915506) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
PubChem CID139915506
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC Nameethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
SMILESCCOC(=O)C1=C2SC(Cc3ccccc3)C(=O)N2CCS1
InChIInChI=1S/C16H17NO3S2/c1-2-20-16(19)13-15-17(8-9-21-13)14(18)12(22-15)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyKREICGNNXUOXIA-UHFFFAOYSA-N
XLogP2.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate?
The IUPAC name of ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate (CID 139915506) is ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate?
The canonical SMILES for ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate is CCOC(=O)C1=C2SC(Cc3ccccc3)C(=O)N2CCS1.
What is the InChIKey of ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate?
The InChIKey is KREICGNNXUOXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c1-2-20-16(19)13-15-17(8-9-21-13)14(18)12(22-15)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate?
ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-3-oxo-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate is sourced from PubChem (CID 139915506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).