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

C19H18FN3O3S — CID 3139957

IUPACN-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccccc1/N=C1\SC(C(=O)Nc2ccc(F)cc2)CC(=O)N1C
InChIInChI=1S/C19H18FN3O3S/c1-23-17(24)11-16(18(25)21-13-9-7-12(20)8-10-13)27-19(23)22-14-5-3-4-6-15(14)26-2/h3-10,16H,11H2,1-2H3,(H,21,25)/b22-19-
InChIKeyFKXLYBFRCPUMMH-QOCHGBHMSA-N
MW387.44 g/mol
LogP3.42
Rot. Bonds4

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

N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3139957) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3139957
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccccc1/N=C1\SC(C(=O)Nc2ccc(F)cc2)CC(=O)N1C
InChIInChI=1S/C19H18FN3O3S/c1-23-17(24)11-16(18(25)21-13-9-7-12(20)8-10-13)27-19(23)22-14-5-3-4-6-15(14)26-2/h3-10,16H,11H2,1-2H3,(H,21,25)/b22-19-
InChIKeyFKXLYBFRCPUMMH-QOCHGBHMSA-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-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 3139957) is N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is COc1ccccc1/N=C1\SC(C(=O)Nc2ccc(F)cc2)CC(=O)N1C.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is FKXLYBFRCPUMMH-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-23-17(24)11-16(18(25)21-13-9-7-12(20)8-10-13)27-19(23)22-14-5-3-4-6-15(14)26-2/h3-10,16H,11H2,1-2H3,(H,21,25)/b22-19-.
What are the key properties of N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
N-(4-fluorophenyl)-2-(2-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-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3139957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).