N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide

C19H18FN3O3S — CID 135425049

IUPACN-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(C/N=C2/NC(=O)CC(C(=O)Nc3ccc(F)cc3)S2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-26-15-8-2-12(3-9-15)11-21-19-23-17(24)10-16(27-19)18(25)22-14-6-4-13(20)5-7-14/h2-9,16H,10-11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyUZFLDMDDNJKAGZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.95
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide

N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135425049) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID135425049
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(C/N=C2/NC(=O)CC(C(=O)Nc3ccc(F)cc3)S2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-26-15-8-2-12(3-9-15)11-21-19-23-17(24)10-16(27-19)18(25)22-14-6-4-13(20)5-7-14/h2-9,16H,10-11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyUZFLDMDDNJKAGZ-UHFFFAOYSA-N
XLogP2.95
TPSA79.79 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 ≤ 52.95
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

(2Z)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
CID 3695704
N-(4-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 135419163
N-(4-methoxybenzyl)-4H-3,1-benzothiazin-2-amine
CID 135500344
N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 644392
(2Z)-N-ethyl-3-(4-fluorobenzyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
CID 649352
(2Z)-3-benzyl-2-[(4-methoxyphenyl)imino]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 661505
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1073972
(2Z)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139951
N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139957
3-[2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3141790
(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
CID 3141795
(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3141796

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide (CID 135425049) is N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide is COc1ccc(C/N=C2/NC(=O)CC(C(=O)Nc3ccc(F)cc3)S2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is UZFLDMDDNJKAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-26-15-8-2-12(3-9-15)11-21-19-23-17(24)10-16(27-19)18(25)22-14-6-4-13(20)5-7-14/h2-9,16H,10-11H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide?
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135425049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).