methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate

C18H13ClN2O3S — CID 134125116

IUPACmethyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate
SMILESCOC(=O)c1cc(=O)n(-c2ccccc2)/c(=N/c2cccc(Cl)c2)s1
InChIInChI=1S/C18H13ClN2O3S/c1-24-17(23)15-11-16(22)21(14-8-3-2-4-9-14)18(25-15)20-13-7-5-6-12(19)10-13/h2-11H,1H3/b20-18-
InChIKeyKRPWWEJNXSZKMN-ZZEZOPTASA-N
MW372.83 g/mol
LogP3.57
Rot. Bonds3

About methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate

methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate (PubChem CID 134125116) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate
PubChem CID134125116
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Namemethyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate
SMILESCOC(=O)c1cc(=O)n(-c2ccccc2)/c(=N/c2cccc(Cl)c2)s1
InChIInChI=1S/C18H13ClN2O3S/c1-24-17(23)15-11-16(22)21(14-8-3-2-4-9-14)18(25-15)20-13-7-5-6-12(19)10-13/h2-11H,1H3/b20-18-
InChIKeyKRPWWEJNXSZKMN-ZZEZOPTASA-N
XLogP3.57
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-chloro-4-fluorophenyl)imino-3-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazine-6-carboxylate
CID 19584977
N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide
CID 44761837
methyl 5-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]thiophene-2-carboxylate
CID 55804119
dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate
CID 10733861
ethyl 3-(3-chlorophenyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 21084015
3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135670347
methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207153
methyl 5-ethyl-4-phenylthiophene-2-carboxylate
CID 58438730
methyl 5-anilino-6-chloro-4,7-dioxo-1-benzothiophene-2-carboxylate
CID 6480743
methyl 2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 121364830
methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate
CID 13073226
methyl 2-(3-chlorophenyl)imino-4-hydroxy-5-[(2-hydroxyphenyl)methylidene]thiophene-3-carboxylate
CID 171136069

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate?
The IUPAC name of methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate (CID 134125116) is methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate.
What is the SMILES notation for methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate?
The canonical SMILES for methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate is COC(=O)c1cc(=O)n(-c2ccccc2)/c(=N/c2cccc(Cl)c2)s1.
What is the InChIKey of methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate?
The InChIKey is KRPWWEJNXSZKMN-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c1-24-17(23)15-11-16(22)21(14-8-3-2-4-9-14)18(25-15)20-13-7-5-6-12(19)10-13/h2-11H,1H3/b20-18-.
What are the key properties of methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate?
methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate has a molecular weight of 372.83 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate is sourced from PubChem (CID 134125116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).