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

C18H15ClFN3O2S — CID 3139997

IUPAC2-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFN3O2S/c1-23-16(24)10-15(17(25)22-14-5-3-2-4-13(14)20)26-18(23)21-12-8-6-11(19)7-9-12/h2-9,15H,10H2,1H3,(H,22,25)/b21-18-
InChIKeyDNJIFMSWEIFATI-UZYVYHOESA-N
MW391.86 g/mol
LogP4.07
Rot. Bonds3

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

2-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3139997) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3139997
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC Name2-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFN3O2S/c1-23-16(24)10-15(17(25)22-14-5-3-2-4-13(14)20)26-18(23)21-12-8-6-11(19)7-9-12/h2-9,15H,10H2,1H3,(H,22,25)/b21-18-
InChIKeyDNJIFMSWEIFATI-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 3139997) is 2-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is CN1C(=O)CC(C(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is DNJIFMSWEIFATI-UZYVYHOESA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c1-23-16(24)10-15(17(25)22-14-5-3-2-4-13(14)20)26-18(23)21-12-8-6-11(19)7-9-12/h2-9,15H,10H2,1H3,(H,22,25)/b21-18-.
What are the key properties of 2-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
2-(4-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-(4-chlorophenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3139997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).