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

C22H23ClN4O3S2 — CID 26900961

IUPACN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1
InChIInChI=1S/C22H23ClN4O3S2/c1-26(2)32(29,30)16-8-9-18(23)17(12-16)21(28)25-22-24-19-10-11-27(14-20(19)31-22)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,25,28)
InChIKeyKCGWYMVRTBXIKK-UHFFFAOYSA-N
MW491.04 g/mol
LogP3.86
Rot. Bonds6

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

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide (PubChem CID 26900961) has the molecular formula C22H23ClN4O3S2 and a molecular weight of 491.04 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide
PubChem CID26900961
Molecular FormulaC22H23ClN4O3S2
Molecular Weight491.04 g/mol
Exact Mass490.09
IUPAC NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1
InChIInChI=1S/C22H23ClN4O3S2/c1-26(2)32(29,30)16-8-9-18(23)17(12-16)21(28)25-22-24-19-10-11-27(14-20(19)31-22)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,25,28)
InChIKeyKCGWYMVRTBXIKK-UHFFFAOYSA-N
XLogP3.86
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.04
LogP ≤ 53.86
H-Bond Donors ≤ 51
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-chloro-5-(diethylsulfamoyl)benzamide
CID 16547107
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-fluoro-5-(methylsulfamoyl)benzamide
CID 55461641
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)-3,4-dimethylbenzamide
CID 42153991
3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide
CID 35857707
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-nitrobenzamide
CID 26841223
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-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2388087
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 17455381

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-chloro-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide (CID 26900961) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)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-chloro-5-(dimethylsulfamoyl)benzamide?
The InChIKey is KCGWYMVRTBXIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S2/c1-26(2)32(29,30)16-8-9-18(23)17(12-16)21(28)25-22-24-19-10-11-27(14-20(19)31-22)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,25,28).
What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide?
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide has a molecular weight of 491.04 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 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-chloro-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 26900961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).