(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide

C18H17N3O2S — CID 699214

IUPAC(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-21-16(22)12-15(17(23)19-13-8-4-2-5-9-13)24-18(21)20-14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,19,23)/b20-18-/t15-/m1/s1
InChIKeySHRXNGRLVPMQQC-MEUCICPISA-N
MW339.42 g/mol
LogP3.28
Rot. Bonds3

About (6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide

(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide (PubChem CID 699214) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
PubChem CID699214
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-21-16(22)12-15(17(23)19-13-8-4-2-5-9-13)24-18(21)20-14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,19,23)/b20-18-/t15-/m1/s1
InChIKeySHRXNGRLVPMQQC-MEUCICPISA-N
XLogP3.28
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 3139917
N-(3-chloro-4-methylphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4061211
N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3523859
(6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 1004412
4-[[(6R)-2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 1114306
(6S)-N-(4-fluorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114343
3-[[(6S)-2-(3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 1114323
4-[[2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 3139939
4-[[(6R)-2-(3,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 1234737
2-(3-chlorophenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 4625413
3-[[2-(3,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 3739882
(6R)-N-(3-chlorophenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114298

Frequently Asked Questions

What is the IUPAC name of (6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide (CID 699214) is (6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide is CN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccccc1.
What is the InChIKey of (6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide?
The InChIKey is SHRXNGRLVPMQQC-MEUCICPISA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-21-16(22)12-15(17(23)19-13-8-4-2-5-9-13)24-18(21)20-14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,19,23)/b20-18-/t15-/m1/s1.
What are the key properties of (6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide?
(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 699214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).