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

C25H22N6O3S — CID 70941253

IUPACN-[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
SMILESCC1CCN(c2nc3nc(-c4ccccc4)cc(C(=O)Nc4nnc(-c5ccco5)o4)c3s2)CC1
InChIInChI=1S/C25H22N6O3S/c1-15-9-11-31(12-10-15)25-27-21-20(35-25)17(14-18(26-21)16-6-3-2-4-7-16)22(32)28-24-30-29-23(34-24)19-8-5-13-33-19/h2-8,13-15H,9-12H2,1H3,(H,28,30,32)
InChIKeyBPLIJCCSJZNKSL-UHFFFAOYSA-N
MW486.56 g/mol
LogP5.49
Rot. Bonds5

About 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

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 (PubChem CID 70941253) 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]-2-(4-methylpiperidin-1-yl)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[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
PubChem CID70941253
Molecular FormulaC25H22N6O3S
Molecular Weight486.56 g/mol
Exact Mass486.15
IUPAC NameN-[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
SMILESCC1CCN(c2nc3nc(-c4ccccc4)cc(C(=O)Nc4nnc(-c5ccco5)o4)c3s2)CC1
InChIInChI=1S/C25H22N6O3S/c1-15-9-11-31(12-10-15)25-27-21-20(35-25)17(14-18(26-21)16-6-3-2-4-7-16)22(32)28-24-30-29-23(34-24)19-8-5-13-33-19/h2-8,13-15H,9-12H2,1H3,(H,28,30,32)
InChIKeyBPLIJCCSJZNKSL-UHFFFAOYSA-N
XLogP5.49
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 ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCN(c2nc3nc(-c4ccccc4)cc(C(=O)Nc4nnc(-c5ccco5)o4)c3s2)CC1.
What is the InChIKey of 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?
The InChIKey is BPLIJCCSJZNKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3S/c1-15-9-11-31(12-10-15)25-27-21-20(35-25)17(14-18(26-21)16-6-3-2-4-7-16)22(32)28-24-30-29-23(34-24)19-8-5-13-33-19/h2-8,13-15H,9-12H2,1H3,(H,28,30,32).
What are the key properties of 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?
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 has a molecular weight of 486.56 g/mol, XLogP of 5.49, 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]-2-(4-methylpiperidin-1-yl)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 70941253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).