N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

C19H14FN3O2S — CID 46326231

IUPACN-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCc1cc2nc3sc(C(=O)Nc4ccc(F)cc4)cc(=O)n3c2cc1C
InChIInChI=1S/C19H14FN3O2S/c1-10-7-14-15(8-11(10)2)23-17(24)9-16(26-19(23)22-14)18(25)21-13-5-3-12(20)4-6-13/h3-9H,1-2H3,(H,21,25)
InChIKeyZQWVAQJGDLPRCV-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.92
Rot. Bonds2

About N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (PubChem CID 46326231) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
PubChem CID46326231
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC NameN-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCc1cc2nc3sc(C(=O)Nc4ccc(F)cc4)cc(=O)n3c2cc1C
InChIInChI=1S/C19H14FN3O2S/c1-10-7-14-15(8-11(10)2)23-17(24)9-16(26-19(23)22-14)18(25)21-13-5-3-12(20)4-6-13/h3-9H,1-2H3,(H,21,25)
InChIKeyZQWVAQJGDLPRCV-UHFFFAOYSA-N
XLogP3.92
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.92
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-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326271
N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326150
N-(4-ethylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 802231
7,8-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326315
N-(2,5-difluorophenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326156
7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326282
N-(4-chloro-2-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326110
2-[5-bromo-4-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126398783
7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 92869945
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249302

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (CID 46326231) is N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is Cc1cc2nc3sc(C(=O)Nc4ccc(F)cc4)cc(=O)n3c2cc1C.
What is the InChIKey of N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is ZQWVAQJGDLPRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c1-10-7-14-15(8-11(10)2)23-17(24)9-16(26-19(23)22-14)18(25)21-13-5-3-12(20)4-6-13/h3-9H,1-2H3,(H,21,25).
What are the key properties of N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 46326231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).