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

C18H15ClFN3O2S — CID 3831579

IUPACN-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(F)c1
InChIInChI=1S/C18H15ClFN3O2S/c1-23-16(24)10-15(17(25)21-13-6-2-4-11(19)8-13)26-18(23)22-14-7-3-5-12(20)9-14/h2-9,15H,10H2,1H3,(H,21,25)/b22-18-
InChIKeyJOMYYGPJZAQWNQ-PYCFMQQDSA-N
MW391.86 g/mol
LogP4.07
Rot. Bonds3

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

N-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3831579) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3831579
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC NameN-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(F)c1
InChIInChI=1S/C18H15ClFN3O2S/c1-23-16(24)10-15(17(25)21-13-6-2-4-11(19)8-13)26-18(23)22-14-7-3-5-12(20)9-14/h2-9,15H,10H2,1H3,(H,21,25)/b22-18-
InChIKeyJOMYYGPJZAQWNQ-PYCFMQQDSA-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 N-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 3831579) is N-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is CN1C(=O)CC(C(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(F)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is JOMYYGPJZAQWNQ-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c1-23-16(24)10-15(17(25)21-13-6-2-4-11(19)8-13)26-18(23)22-14-7-3-5-12(20)9-14/h2-9,15H,10H2,1H3,(H,21,25)/b22-18-.
What are the key properties of N-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
N-(3-chlorophenyl)-2-(3-fluorophenyl)imino-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 N-(3-chlorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3831579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).