N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide

C13H12ClN3O2S — CID 713488

IUPACN-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide
SMILESC/N=c1\sc(C(=O)Nc2cccc(Cl)c2)cc(=O)n1C
InChIInChI=1S/C13H12ClN3O2S/c1-15-13-17(2)11(18)7-10(20-13)12(19)16-9-5-3-4-8(14)6-9/h3-7H,1-2H3,(H,16,19)/b15-13-
InChIKeyVEPATZHNWABVKW-SQFISAMPSA-N
MW309.78 g/mol
LogP1.88
Rot. Bonds2

About N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide

N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide (PubChem CID 713488) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide
PubChem CID713488
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC NameN-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide
SMILESC/N=c1\sc(C(=O)Nc2cccc(Cl)c2)cc(=O)n1C
InChIInChI=1S/C13H12ClN3O2S/c1-15-13-17(2)11(18)7-10(20-13)12(19)16-9-5-3-4-8(14)6-9/h3-7H,1-2H3,(H,16,19)/b15-13-
InChIKeyVEPATZHNWABVKW-SQFISAMPSA-N
XLogP1.88
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide (CID 713488) is N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide is C/N=c1\sc(C(=O)Nc2cccc(Cl)c2)cc(=O)n1C.
What is the InChIKey of N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide?
The InChIKey is VEPATZHNWABVKW-SQFISAMPSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c1-15-13-17(2)11(18)7-10(20-13)12(19)16-9-5-3-4-8(14)6-9/h3-7H,1-2H3,(H,16,19)/b15-13-.
What are the key properties of N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide?
N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide has a molecular weight of 309.78 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide is sourced from PubChem (CID 713488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).