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

C19H17ClFN3O2S — CID 3757701

IUPAC2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCc1ccc(/N=C2\SC(C(=O)Nc3ccccc3F)CC(=O)N2C)cc1Cl
InChIInChI=1S/C19H17ClFN3O2S/c1-11-7-8-12(9-13(11)20)22-19-24(2)17(25)10-16(27-19)18(26)23-15-6-4-3-5-14(15)21/h3-9,16H,10H2,1-2H3,(H,23,26)/b22-19-
InChIKeyXEZWVLOSARPKIF-QOCHGBHMSA-N
MW405.88 g/mol
LogP4.38
Rot. Bonds3

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

2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3757701) has the molecular formula C19H17ClFN3O2S and a molecular weight of 405.88 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3757701
Molecular FormulaC19H17ClFN3O2S
Molecular Weight405.88 g/mol
Exact Mass405.07
IUPAC Name2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCc1ccc(/N=C2\SC(C(=O)Nc3ccccc3F)CC(=O)N2C)cc1Cl
InChIInChI=1S/C19H17ClFN3O2S/c1-11-7-8-12(9-13(11)20)22-19-24(2)17(25)10-16(27-19)18(26)23-15-6-4-3-5-14(15)21/h3-9,16H,10H2,1-2H3,(H,23,26)/b22-19-
InChIKeyXEZWVLOSARPKIF-QOCHGBHMSA-N
XLogP4.38
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.38
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-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 3757701) is 2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is Cc1ccc(/N=C2\SC(C(=O)Nc3ccccc3F)CC(=O)N2C)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is XEZWVLOSARPKIF-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H17ClFN3O2S/c1-11-7-8-12(9-13(11)20)22-19-24(2)17(25)10-16(27-19)18(26)23-15-6-4-3-5-14(15)21/h3-9,16H,10H2,1-2H3,(H,23,26)/b22-19-.
What are the key properties of 2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 405.88 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)imino-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3757701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).