N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide

C19H18FN3O3S — CID 644392

IUPACN-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1cccc(/N=C2\SC(C(=O)Nc3ccccc3F)CC(=O)N2C)c1
InChIInChI=1S/C19H18FN3O3S/c1-23-17(24)11-16(18(25)22-15-9-4-3-8-14(15)20)27-19(23)21-12-6-5-7-13(10-12)26-2/h3-10,16H,11H2,1-2H3,(H,22,25)/b21-19-
InChIKeyWGWDBMPSDCGWMQ-VZCXRCSSSA-N
MW387.44 g/mol
LogP3.42
Rot. Bonds4

About N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide

N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 644392) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID644392
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1cccc(/N=C2\SC(C(=O)Nc3ccccc3F)CC(=O)N2C)c1
InChIInChI=1S/C19H18FN3O3S/c1-23-17(24)11-16(18(25)22-15-9-4-3-8-14(15)20)27-19(23)21-12-6-5-7-13(10-12)26-2/h3-10,16H,11H2,1-2H3,(H,22,25)/b21-19-
InChIKeyWGWDBMPSDCGWMQ-VZCXRCSSSA-N
XLogP3.42
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 644392) is N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is COc1cccc(/N=C2\SC(C(=O)Nc3ccccc3F)CC(=O)N2C)c1.
What is the InChIKey of N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is WGWDBMPSDCGWMQ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-23-17(24)11-16(18(25)22-15-9-4-3-8-14(15)20)27-19(23)21-12-6-5-7-13(10-12)26-2/h3-10,16H,11H2,1-2H3,(H,22,25)/b21-19-.
What are the key properties of N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 644392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).