N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

C17H9F2N3O2S — CID 46326156

IUPACN-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cc(=O)n2c(nc3ccccc32)s1
InChIInChI=1S/C17H9F2N3O2S/c18-9-5-6-10(19)12(7-9)20-16(24)14-8-15(23)22-13-4-2-1-3-11(13)21-17(22)25-14/h1-8H,(H,20,24)
InChIKeyVNUUXXQBAGOQRG-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.44
Rot. Bonds2

About N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (PubChem CID 46326156) has the molecular formula C17H9F2N3O2S and a molecular weight of 357.34 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
PubChem CID46326156
Molecular FormulaC17H9F2N3O2S
Molecular Weight357.34 g/mol
Exact Mass357.04
IUPAC NameN-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cc(=O)n2c(nc3ccccc32)s1
InChIInChI=1S/C17H9F2N3O2S/c18-9-5-6-10(19)12(7-9)20-16(24)14-8-15(23)22-13-4-2-1-3-11(13)21-17(22)25-14/h1-8H,(H,20,24)
InChIKeyVNUUXXQBAGOQRG-UHFFFAOYSA-N
XLogP3.44
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (CID 46326156) is N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is O=C(Nc1cc(F)ccc1F)c1cc(=O)n2c(nc3ccccc32)s1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is VNUUXXQBAGOQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3O2S/c18-9-5-6-10(19)12(7-9)20-16(24)14-8-15(23)22-13-4-2-1-3-11(13)21-17(22)25-14/h1-8H,(H,20,24).
What are the key properties of N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 46326156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).