N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

C18H12BrN3O2S — CID 46326150

IUPACN-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(=O)n3c(nc4ccccc43)s2)ccc1Br
InChIInChI=1S/C18H12BrN3O2S/c1-10-8-11(6-7-12(10)19)20-17(24)15-9-16(23)22-14-5-3-2-4-13(14)21-18(22)25-15/h2-9H,1H3,(H,20,24)
InChIKeyXAGPPVNZKBWYHU-UHFFFAOYSA-N
MW414.28 g/mol
LogP4.23
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (PubChem CID 46326150) has the molecular formula C18H12BrN3O2S and a molecular weight of 414.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
PubChem CID46326150
Molecular FormulaC18H12BrN3O2S
Molecular Weight414.28 g/mol
Exact Mass412.98
IUPAC NameN-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(=O)n3c(nc4ccccc43)s2)ccc1Br
InChIInChI=1S/C18H12BrN3O2S/c1-10-8-11(6-7-12(10)19)20-17(24)15-9-16(23)22-14-5-3-2-4-13(14)21-18(22)25-15/h2-9H,1H3,(H,20,24)
InChIKeyXAGPPVNZKBWYHU-UHFFFAOYSA-N
XLogP4.23
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326170
N-(4-ethylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 802231
N-(4-chloro-2-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326110
N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326231
N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326156
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326206
N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326113
N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
CID 743467
2-(azepane-1-carbonyl)-[1,3]thiazino[3,2-a]benzimidazol-4-one
CID 46326124
N-(4-bromo-3-methylphenyl)-2,6-dichlorobenzamide
CID 3367172
N-(4-bromo-3-methylphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780732
N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326271

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (CID 46326150) is N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is Cc1cc(NC(=O)c2cc(=O)n3c(nc4ccccc43)s2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is XAGPPVNZKBWYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O2S/c1-10-8-11(6-7-12(10)19)20-17(24)15-9-16(23)22-14-5-3-2-4-13(14)21-18(22)25-15/h2-9H,1H3,(H,20,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 414.28 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 46326150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).