N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide

C21H19N3O5S — CID 130473973

IUPACN-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(O)C2CCOCC2)s1)c1cnc2occc2c1
InChIInChI=1S/C21H19N3O5S/c25-17(12-3-7-27-8-4-12)18-16(15-2-1-6-28-15)23-21(30-18)24-19(26)14-10-13-5-9-29-20(13)22-11-14/h1-2,5-6,9-12,17,25H,3-4,7-8H2,(H,23,24,26)
InChIKeyFLNRSUIJGILLHF-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.26
Rot. Bonds5

About N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide

N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide (PubChem CID 130473973) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide
PubChem CID130473973
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC NameN-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(O)C2CCOCC2)s1)c1cnc2occc2c1
InChIInChI=1S/C21H19N3O5S/c25-17(12-3-7-27-8-4-12)18-16(15-2-1-6-28-15)23-21(30-18)24-19(26)14-10-13-5-9-29-20(13)22-11-14/h1-2,5-6,9-12,17,25H,3-4,7-8H2,(H,23,24,26)
InChIKeyFLNRSUIJGILLHF-UHFFFAOYSA-N
XLogP4.26
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide (CID 130473973) is N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(O)C2CCOCC2)s1)c1cnc2occc2c1.
What is the InChIKey of N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide?
The InChIKey is FLNRSUIJGILLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c25-17(12-3-7-27-8-4-12)18-16(15-2-1-6-28-15)23-21(30-18)24-19(26)14-10-13-5-9-29-20(13)22-11-14/h1-2,5-6,9-12,17,25H,3-4,7-8H2,(H,23,24,26).
What are the key properties of N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide?
N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide has a molecular weight of 425.47 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 130473973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).