(6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide

C19H15ClF3N3O3S — CID 136883054

IUPAC(6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(Cl)cc1/N=C1/NC(=O)C[C@H](C(=O)Nc2ccccc2C(F)(F)F)S1
InChIInChI=1S/C19H15ClF3N3O3S/c1-29-14-7-6-10(20)8-13(14)25-18-26-16(27)9-15(30-18)17(28)24-12-5-3-2-4-11(12)19(21,22)23/h2-8,15H,9H2,1H3,(H,24,28)(H,25,26,27)/t15-/m1/s1
InChIKeyLBRNRLCWICVFDP-OAHLLOKOSA-N
MW457.86 g/mol
LogP4.62
Rot. Bonds4

About (6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide

(6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide (PubChem CID 136883054) has the molecular formula C19H15ClF3N3O3S and a molecular weight of 457.86 g/mol. Its IUPAC name is (6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide
PubChem CID136883054
Molecular FormulaC19H15ClF3N3O3S
Molecular Weight457.86 g/mol
Exact Mass457.05
IUPAC Name(6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(Cl)cc1/N=C1/NC(=O)C[C@H](C(=O)Nc2ccccc2C(F)(F)F)S1
InChIInChI=1S/C19H15ClF3N3O3S/c1-29-14-7-6-10(20)8-13(14)25-18-26-16(27)9-15(30-18)17(28)24-12-5-3-2-4-11(12)19(21,22)23/h2-8,15H,9H2,1H3,(H,24,28)(H,25,26,27)/t15-/m1/s1
InChIKeyLBRNRLCWICVFDP-OAHLLOKOSA-N
XLogP4.62
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.86
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 135608984
dimethyl 5-[[(6R)-2-(2,5-dimethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzene-1,3-dicarboxylate
CID 135884658
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
4-[[(2Z,6S)-2-[(Z)-1-(3-fluoro-4-methoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 135922474
3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039146
1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 71879533
(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135643202
2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135834005
(2E)-N-(2,5-dichlorophenyl)-4-oxo-2-[(Z)-1-phenylpentylidenehydrazinylidene]-1,3-thiazinane-6-carboxamide
CID 135693057
(2Z,6S)-2-[(Z)-1-(3-fluoro-4-methoxyphenyl)ethylidenehydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135922555
2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135399274
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide (CID 136883054) is (6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide is COc1ccc(Cl)cc1/N=C1/NC(=O)C[C@H](C(=O)Nc2ccccc2C(F)(F)F)S1.
What is the InChIKey of (6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide?
The InChIKey is LBRNRLCWICVFDP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15ClF3N3O3S/c1-29-14-7-6-10(20)8-13(14)25-18-26-16(27)9-15(30-18)17(28)24-12-5-3-2-4-11(12)19(21,22)23/h2-8,15H,9H2,1H3,(H,24,28)(H,25,26,27)/t15-/m1/s1.
What are the key properties of (6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide?
(6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide has a molecular weight of 457.86 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 136883054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).