N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide

C21H21FN4O3S2 — CID 55461641

IUPACN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1
InChIInChI=1S/C21H21FN4O3S2/c1-23-31(28,29)15-7-8-17(22)16(11-15)20(27)25-21-24-18-9-10-26(13-19(18)30-21)12-14-5-3-2-4-6-14/h2-8,11,23H,9-10,12-13H2,1H3,(H,24,25,27)
InChIKeyGBUQZSUGELXGQP-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.00
Rot. Bonds6

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide (PubChem CID 55461641) has the molecular formula C21H21FN4O3S2 and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide
PubChem CID55461641
Molecular FormulaC21H21FN4O3S2
Molecular Weight460.56 g/mol
Exact Mass460.10
IUPAC NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1
InChIInChI=1S/C21H21FN4O3S2/c1-23-31(28,29)15-7-8-17(22)16(11-15)20(27)25-21-24-18-9-10-26(13-19(18)30-21)12-14-5-3-2-4-6-14/h2-8,11,23H,9-10,12-13H2,1H3,(H,24,25,27)
InChIKeyGBUQZSUGELXGQP-UHFFFAOYSA-N
XLogP3.00
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide
CID 16547111
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 26900961
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16547107
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
CID 2388197
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4-dimethylbenzamide
CID 42153991
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dipropylsulfamoyl)benzamide;hydrochloride
CID 44827139
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methylpyrazine-2-carboxamide
CID 18074462
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide
CID 29412679
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 17455381
ethyl 4-[4-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 44976448
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide (CID 55461641) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1.
What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide?
The InChIKey is GBUQZSUGELXGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S2/c1-23-31(28,29)15-7-8-17(22)16(11-15)20(27)25-21-24-18-9-10-26(13-19(18)30-21)12-14-5-3-2-4-6-14/h2-8,11,23H,9-10,12-13H2,1H3,(H,24,25,27).
What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide?
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide has a molecular weight of 460.56 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-fluoro-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55461641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).