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

C13H13BrClN3O2S — CID 2936824

IUPACN-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide;hydrobromide
SMILESBr.C/N=c1\sc(C(=O)Nc2cccc(Cl)c2)cc(=O)n1C
InChIInChI=1S/C13H12ClN3O2S.BrH/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);1H/b15-13-;
InChIKeyNBNDMMQYBNRSPA-ZDCVYKBASA-N
MW390.69 g/mol
LogP2.46
Rot. Bonds2

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

N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide;hydrobromide (PubChem CID 2936824) has the molecular formula C13H13BrClN3O2S and a molecular weight of 390.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide;hydrobromide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide;hydrobromide
PubChem CID2936824
Molecular FormulaC13H13BrClN3O2S
Molecular Weight390.69 g/mol
Exact Mass388.96
IUPAC NameN-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide;hydrobromide
SMILESBr.C/N=c1\sc(C(=O)Nc2cccc(Cl)c2)cc(=O)n1C
InChIInChI=1S/C13H12ClN3O2S.BrH/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);1H/b15-13-;
InChIKeyNBNDMMQYBNRSPA-ZDCVYKBASA-N
XLogP2.46
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 52.46
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;hydrobromide?
The IUPAC name of N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide;hydrobromide (CID 2936824) is N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide;hydrobromide.
What is the SMILES notation for N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide;hydrobromide?
The canonical SMILES for N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide;hydrobromide is Br.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;hydrobromide?
The InChIKey is NBNDMMQYBNRSPA-ZDCVYKBASA-N. The full InChI is InChI=1S/C13H12ClN3O2S.BrH/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);1H/b15-13-;.
What are the key properties of N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide;hydrobromide?
N-(3-chlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazine-6-carboxamide;hydrobromide has a molecular weight of 390.69 g/mol, XLogP of 2.46, 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;hydrobromide is sourced from PubChem (CID 2936824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).