N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C17H22N4O4S2 — CID 55634612

IUPACN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)o3)sc2C1
InChIInChI=1S/C17H22N4O4S2/c1-20-10-7-12-14(11-20)26-17(18-12)19-16(22)13-5-6-15(25-13)27(23,24)21-8-3-2-4-9-21/h5-6H,2-4,7-11H2,1H3,(H,18,19,22)
InChIKeyAEDLTTKBIFIUAV-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.15
Rot. Bonds4

About N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55634612) has the molecular formula C17H22N4O4S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55634612
Molecular FormulaC17H22N4O4S2
Molecular Weight410.52 g/mol
Exact Mass410.11
IUPAC NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)o3)sc2C1
InChIInChI=1S/C17H22N4O4S2/c1-20-10-7-12-14(11-20)26-17(18-12)19-16(22)13-5-6-15(25-13)27(23,24)21-8-3-2-4-9-21/h5-6H,2-4,7-11H2,1H3,(H,18,19,22)
InChIKeyAEDLTTKBIFIUAV-UHFFFAOYSA-N
XLogP2.15
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 51108343
2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 27421659
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630222
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 16848015
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 108517269
4-(dimethylsulfamoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44826978
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 46663904
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 29173142
2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 55507349
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 24611843
5-(4-chlorophenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
CID 35340823
4-(diethylaminomethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 55650727

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55634612) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide is CN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)o3)sc2C1.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is AEDLTTKBIFIUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S2/c1-20-10-7-12-14(11-20)26-17(18-12)19-16(22)13-5-6-15(25-13)27(23,24)21-8-3-2-4-9-21/h5-6H,2-4,7-11H2,1H3,(H,18,19,22).
What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55634612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).