(6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

C19H18FN3O3S — CID 51410730

IUPAC(6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(CCO)/C(=N/c2ccccc2)S1
InChIInChI=1S/C19H18FN3O3S/c20-13-6-8-15(9-7-13)21-18(26)16-12-17(25)23(10-11-24)19(27-16)22-14-4-2-1-3-5-14/h1-9,16,24H,10-12H2,(H,21,26)/b22-19-/t16-/m0/s1
InChIKeyPYSAZVNAUAINMS-VFOOBRQFSA-N
MW387.44 g/mol
LogP2.78
Rot. Bonds5

About (6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

(6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (PubChem CID 51410730) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is (6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
PubChem CID51410730
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name(6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(CCO)/C(=N/c2ccccc2)S1
InChIInChI=1S/C19H18FN3O3S/c20-13-6-8-15(9-7-13)21-18(26)16-12-17(25)23(10-11-24)19(27-16)22-14-4-2-1-3-5-14/h1-9,16,24H,10-12H2,(H,21,26)/b22-19-/t16-/m0/s1
InChIKeyPYSAZVNAUAINMS-VFOOBRQFSA-N
XLogP2.78
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.78
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

(6R)-N-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 41201251
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 (6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (CID 51410730) is (6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide is O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(CCO)/C(=N/c2ccccc2)S1.
What is the InChIKey of (6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The InChIKey is PYSAZVNAUAINMS-VFOOBRQFSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-13-6-8-15(9-7-13)21-18(26)16-12-17(25)23(10-11-24)19(27-16)22-14-4-2-1-3-5-14/h1-9,16,24H,10-12H2,(H,21,26)/b22-19-/t16-/m0/s1.
What are the key properties of (6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
(6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(4-fluorophenyl)-3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 51410730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).