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

C19H17ClFN3O2S — CID 5186550

IUPACN-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1Cl
InChIInChI=1S/C19H17ClFN3O2S/c1-11-3-6-14(9-15(11)20)22-18(26)16-10-17(25)24(2)19(27-16)23-13-7-4-12(21)5-8-13/h3-9,16H,10H2,1-2H3,(H,22,26)/b23-19-
InChIKeyDORWPSXQVJJCFH-NMWGTECJSA-N
MW405.88 g/mol
LogP4.38
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 5186550) has the molecular formula C19H17ClFN3O2S and a molecular weight of 405.88 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID5186550
Molecular FormulaC19H17ClFN3O2S
Molecular Weight405.88 g/mol
Exact Mass405.07
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1Cl
InChIInChI=1S/C19H17ClFN3O2S/c1-11-3-6-14(9-15(11)20)22-18(26)16-10-17(25)24(2)19(27-16)23-13-7-4-12(21)5-8-13/h3-9,16H,10H2,1-2H3,(H,22,26)/b23-19-
InChIKeyDORWPSXQVJJCFH-NMWGTECJSA-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 N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 5186550) is N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is DORWPSXQVJJCFH-NMWGTECJSA-N. The full InChI is InChI=1S/C19H17ClFN3O2S/c1-11-3-6-14(9-15(11)20)22-18(26)16-10-17(25)24(2)19(27-16)23-13-7-4-12(21)5-8-13/h3-9,16H,10H2,1-2H3,(H,22,26)/b23-19-.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-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 N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 5186550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).