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

C18H15ClFN3O2S — CID 3722340

IUPAC2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2ccccc2F)S/C1=N\c1cccc(Cl)c1
InChIInChI=1S/C18H15ClFN3O2S/c1-23-16(24)10-15(17(25)22-14-8-3-2-7-13(14)20)26-18(23)21-12-6-4-5-11(19)9-12/h2-9,15H,10H2,1H3,(H,22,25)/b21-18-
InChIKeyODFSGGSFXUFRKO-UZYVYHOESA-N
MW391.86 g/mol
LogP4.07
Rot. Bonds3

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

2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3722340) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3722340
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC Name2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2ccccc2F)S/C1=N\c1cccc(Cl)c1
InChIInChI=1S/C18H15ClFN3O2S/c1-23-16(24)10-15(17(25)22-14-8-3-2-7-13(14)20)26-18(23)21-12-6-4-5-11(19)9-12/h2-9,15H,10H2,1H3,(H,22,25)/b21-18-
InChIKeyODFSGGSFXUFRKO-UZYVYHOESA-N
XLogP4.07
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-N-(3-chlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139557
(2Z)-N-(3,4-dichlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 661493
N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 973107
2-[1-(3-Chloro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1,3-diphenyl-isothiourea
CID 2833597
N-(3-chlorophenyl)-3-methyl-2-(methylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxamide hydrobromide
CID 2936824
2-[1-(4-Chloro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1,3-diphenyl-isothiourea
CID 3101611
N-(3-chloro-4-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 3161809
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
CID 135401487
1-(3-Chloro-4-fluorophenyl)-3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2951519
N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
CID 135543441
N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
CID 135623265
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 135407474

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 3722340) is 2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is CN1C(=O)CC(C(=O)Nc2ccccc2F)S/C1=N\c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is ODFSGGSFXUFRKO-UZYVYHOESA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c1-23-16(24)10-15(17(25)22-14-8-3-2-7-13(14)20)26-18(23)21-12-6-4-5-11(19)9-12/h2-9,15H,10H2,1H3,(H,22,25)/b21-18-.
What are the key properties of 2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3722340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).