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

C19H14N4O3S — CID 46326170

IUPACN-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(=O)n3c(nc4ccccc43)s2)cc1
InChIInChI=1S/C19H14N4O3S/c1-11(24)20-12-6-8-13(9-7-12)21-18(26)16-10-17(25)23-15-5-3-2-4-14(15)22-19(23)27-16/h2-10H,1H3,(H,20,24)(H,21,26)
InChIKeyDPUWRIXPKMVDTK-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.12
Rot. Bonds3

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

N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (PubChem CID 46326170) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
PubChem CID46326170
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC NameN-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(=O)n3c(nc4ccccc43)s2)cc1
InChIInChI=1S/C19H14N4O3S/c1-11(24)20-12-6-8-13(9-7-12)21-18(26)16-10-17(25)23-15-5-3-2-4-14(15)22-19(23)27-16/h2-10H,1H3,(H,20,24)(H,21,26)
InChIKeyDPUWRIXPKMVDTK-UHFFFAOYSA-N
XLogP3.12
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 802231
N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326150
N-(4-chloro-2-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326110
N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326156
N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326231
N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326113
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326206
2-(azepane-1-carbonyl)-[1,3]thiazino[3,2-a]benzimidazol-4-one
CID 46326124
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 92869928
N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326271
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326188
N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 117082558

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (CID 46326170) is N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(=O)n3c(nc4ccccc43)s2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is DPUWRIXPKMVDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-11(24)20-12-6-8-13(9-7-12)21-18(26)16-10-17(25)23-15-5-3-2-4-14(15)22-19(23)27-16/h2-10H,1H3,(H,20,24)(H,21,26).
What are the key properties of N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 46326170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).