ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate

C20H18N2O2S — CID 132941566

IUPACethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)s/c1=N\c1ccccc1
InChIInChI=1S/C20H18N2O2S/c1-3-24-20(23)17-14(2)21-18(15-10-6-4-7-11-15)25-19(17)22-16-12-8-5-9-13-16/h4-13H,3H2,1-2H3/b22-19-
InChIKeyRKVSFBPKCGIBBX-QOCHGBHMSA-N
MW350.44 g/mol
LogP4.53
Rot. Bonds4

About ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate

ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate (PubChem CID 132941566) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate
PubChem CID132941566
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Nameethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)s/c1=N\c1ccccc1
InChIInChI=1S/C20H18N2O2S/c1-3-24-20(23)17-14(2)21-18(15-10-6-4-7-11-15)25-19(17)22-16-12-8-5-9-13-16/h4-13H,3H2,1-2H3/b22-19-
InChIKeyRKVSFBPKCGIBBX-QOCHGBHMSA-N
XLogP4.53
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate (CID 132941566) is ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate is CCOC(=O)c1c(C)nc(-c2ccccc2)s/c1=N\c1ccccc1.
What is the InChIKey of ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate?
The InChIKey is RKVSFBPKCGIBBX-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-3-24-20(23)17-14(2)21-18(15-10-6-4-7-11-15)25-19(17)22-16-12-8-5-9-13-16/h4-13H,3H2,1-2H3/b22-19-.
What are the key properties of ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate?
ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate has a molecular weight of 350.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-phenyl-6-phenylimino-1,3-thiazine-5-carboxylate is sourced from PubChem (CID 132941566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).