N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide

C25H22N6O3S — CID 53327641

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccco4)o3)c3sc(N4CCCCC4)nc3n2)cc1
InChIInChI=1S/C25H22N6O3S/c1-15-7-9-16(10-8-15)18-14-17(20-21(26-18)27-25(35-20)31-11-3-2-4-12-31)22(32)28-24-30-29-23(34-24)19-6-5-13-33-19/h5-10,13-14H,2-4,11-12H2,1H3,(H,28,30,32)
InChIKeyFQYWUKBVGOJHGJ-UHFFFAOYSA-N
MW486.56 g/mol
LogP5.55
Rot. Bonds5

About N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide (PubChem CID 53327641) has the molecular formula C25H22N6O3S and a molecular weight of 486.56 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
PubChem CID53327641
Molecular FormulaC25H22N6O3S
Molecular Weight486.56 g/mol
Exact Mass486.15
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccco4)o3)c3sc(N4CCCCC4)nc3n2)cc1
InChIInChI=1S/C25H22N6O3S/c1-15-7-9-16(10-8-15)18-14-17(20-21(26-18)27-25(35-20)31-11-3-2-4-12-31)22(32)28-24-30-29-23(34-24)19-6-5-13-33-19/h5-10,13-14H,2-4,11-12H2,1H3,(H,28,30,32)
InChIKeyFQYWUKBVGOJHGJ-UHFFFAOYSA-N
XLogP5.55
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.56
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide with MolForge

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
CID 70941253
2-amino-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
CID 89120301
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4129515
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide
CID 67204691
6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 67205544
8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
CID 67206871
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 67204238
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 45497116
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 2534314
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 67203917
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylfuran-2-carboxamide
CID 90320525
2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide
CID 4780170

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide (CID 53327641) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccco4)o3)c3sc(N4CCCCC4)nc3n2)cc1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide?
The InChIKey is FQYWUKBVGOJHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3S/c1-15-7-9-16(10-8-15)18-14-17(20-21(26-18)27-25(35-20)31-11-3-2-4-12-31)22(32)28-24-30-29-23(34-24)19-6-5-13-33-19/h5-10,13-14H,2-4,11-12H2,1H3,(H,28,30,32).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide has a molecular weight of 486.56 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 53327641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).