(6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

C23H25FN4O3S — CID 41201251

IUPAC(6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCN2CCOCC2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C23H25FN4O3S/c24-17-6-8-19(9-7-17)25-22(30)20-16-21(29)28(11-10-27-12-14-31-15-13-27)23(32-20)26-18-4-2-1-3-5-18/h1-9,20H,10-16H2,(H,25,30)/b26-23-/t20-/m1/s1
InChIKeyLXJRLJSAXBJMBC-HZYJKNPPSA-N
MW456.54 g/mol
LogP3.12
Rot. Bonds6

About (6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

(6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (PubChem CID 41201251) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is (6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
PubChem CID41201251
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC Name(6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCN2CCOCC2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C23H25FN4O3S/c24-17-6-8-19(9-7-17)25-22(30)20-16-21(29)28(11-10-27-12-14-31-15-13-27)23(32-20)26-18-4-2-1-3-5-18/h1-9,20H,10-16H2,(H,25,30)/b26-23-/t20-/m1/s1
InChIKeyLXJRLJSAXBJMBC-HZYJKNPPSA-N
XLogP3.12
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 51410730
methyl 4-[[(6S)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 40927200
(6S)-2-(4-chlorophenyl)imino-N-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide
CID 42591076
N-(4-fluorophenyl)-2-(4-methoxyphenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
CID 4255901
(6S)-3-[2-(4-fluorophenyl)ethyl]-N-(3-methylphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 40851132
3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
CID 4060932
3-benzyl-N-(4-chlorophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4046882
3-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 5206673
3-benzyl-N-(4-fluorophenyl)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
CID 5206652
(6S)-3-benzyl-2-(4-fluorophenyl)imino-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide
CID 40884637
(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 699214
N-(3-bromophenyl)-2-(4-fluorophenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
CID 4105326

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (CID 41201251) is (6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide is O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCN2CCOCC2)/C(=N/c2ccccc2)S1.
What is the InChIKey of (6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The InChIKey is LXJRLJSAXBJMBC-HZYJKNPPSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c24-17-6-8-19(9-7-17)25-22(30)20-16-21(29)28(11-10-27-12-14-31-15-13-27)23(32-20)26-18-4-2-1-3-5-18/h1-9,20H,10-16H2,(H,25,30)/b26-23-/t20-/m1/s1.
What are the key properties of (6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
(6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 41201251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).