ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate

C14H15NO3S — CID 56766415

IUPACethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate
SMILESCCOC(=O)CN1C(=O)CSC=C1c1ccccc1
InChIInChI=1S/C14H15NO3S/c1-2-18-14(17)8-15-12(9-19-10-13(15)16)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3
InChIKeyJYVBUBSTWCRVHZ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.12
Rot. Bonds4

About ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate

ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate (PubChem CID 56766415) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate
PubChem CID56766415
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Nameethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate
SMILESCCOC(=O)CN1C(=O)CSC=C1c1ccccc1
InChIInChI=1S/C14H15NO3S/c1-2-18-14(17)8-15-12(9-19-10-13(15)16)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3
InChIKeyJYVBUBSTWCRVHZ-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate?
The IUPAC name of ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate (CID 56766415) is ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate?
The canonical SMILES for ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate is CCOC(=O)CN1C(=O)CSC=C1c1ccccc1.
What is the InChIKey of ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate?
The InChIKey is JYVBUBSTWCRVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-2-18-14(17)8-15-12(9-19-10-13(15)16)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3.
What are the key properties of ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate?
ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate has a molecular weight of 277.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate is sourced from PubChem (CID 56766415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).