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

C21H19N3O3S — CID 46326206

IUPAC4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2cc(=O)n3c(nc4ccccc43)s2)cc1
InChIInChI=1S/C21H19N3O3S/c1-13(2)27-15-9-7-14(8-10-15)12-22-20(26)18-11-19(25)24-17-6-4-3-5-16(17)23-21(24)28-18/h3-11,13H,12H2,1-2H3,(H,22,26)
InChIKeyYQDRRIBAHLJIHC-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.63
Rot. Bonds5

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

4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (PubChem CID 46326206) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
PubChem CID46326206
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2cc(=O)n3c(nc4ccccc43)s2)cc1
InChIInChI=1S/C21H19N3O3S/c1-13(2)27-15-9-7-14(8-10-15)12-22-20(26)18-11-19(25)24-17-6-4-3-5-16(17)23-21(24)28-18/h3-11,13H,12H2,1-2H3,(H,22,26)
InChIKeyYQDRRIBAHLJIHC-UHFFFAOYSA-N
XLogP3.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326170
7,8-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326315
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326188
N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326150
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326183
4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134372
N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326113
N-(4-chloro-2-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326110
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326156
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 50815790
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (CID 46326206) is 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is CC(C)Oc1ccc(CNC(=O)c2cc(=O)n3c(nc4ccccc43)s2)cc1.
What is the InChIKey of 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is YQDRRIBAHLJIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13(2)27-15-9-7-14(8-10-15)12-22-20(26)18-11-19(25)24-17-6-4-3-5-16(17)23-21(24)28-18/h3-11,13H,12H2,1-2H3,(H,22,26).
What are the key properties of 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 46326206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).