methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate

C18H14N2O3S — CID 630835

IUPACmethyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate
SMILESCOC(=O)c1cc(=O)n(-c2ccccc2)/c(=N/c2ccccc2)s1
InChIInChI=1S/C18H14N2O3S/c1-23-17(22)15-12-16(21)20(14-10-6-3-7-11-14)18(24-15)19-13-8-4-2-5-9-13/h2-12H,1H3/b19-18-
InChIKeySBZRSIFDVSANPI-HNENSFHCSA-N
MW338.39 g/mol
LogP2.92
Rot. Bonds3

About methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate

methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate (PubChem CID 630835) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate
PubChem CID630835
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Namemethyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate
SMILESCOC(=O)c1cc(=O)n(-c2ccccc2)/c(=N/c2ccccc2)s1
InChIInChI=1S/C18H14N2O3S/c1-23-17(22)15-12-16(21)20(14-10-6-3-7-11-14)18(24-15)19-13-8-4-2-5-9-13/h2-12H,1H3/b19-18-
InChIKeySBZRSIFDVSANPI-HNENSFHCSA-N
XLogP2.92
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate?
The IUPAC name of methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate (CID 630835) is methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate.
What is the SMILES notation for methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate?
The canonical SMILES for methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate is COC(=O)c1cc(=O)n(-c2ccccc2)/c(=N/c2ccccc2)s1.
What is the InChIKey of methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate?
The InChIKey is SBZRSIFDVSANPI-HNENSFHCSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-23-17(22)15-12-16(21)20(14-10-6-3-7-11-14)18(24-15)19-13-8-4-2-5-9-13/h2-12H,1H3/b19-18-.
What are the key properties of methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate?
methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-3-phenyl-2-phenylimino-1,3-thiazine-6-carboxylate is sourced from PubChem (CID 630835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).