N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide

C21H19N3O5S — CID 66827304

IUPACN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NC1=NC(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/h1-2,5-6,9-12,16,18H,3-4,7-8H2,(H,23,24,26)
InChIKeyVYHSYLUQRCGWJI-UHFFFAOYSA-N
MW425.47 g/mol
LogP3.36
Rot. Bonds4

About N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide (PubChem CID 66827304) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide
PubChem CID66827304
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NC1=NC(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/h1-2,5-6,9-12,16,18H,3-4,7-8H2,(H,23,24,26)
InChIKeyVYHSYLUQRCGWJI-UHFFFAOYSA-N
XLogP3.36
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide (CID 66827304) is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide is O=C(NC1=NC(c2ccco2)C(C(=O)C2CCOCC2)S1)c1cnc2occc2c1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide?
The InChIKey is VYHSYLUQRCGWJI-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/h1-2,5-6,9-12,16,18H,3-4,7-8H2,(H,23,24,26).
What are the key properties of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide?
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide has a molecular weight of 425.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 66827304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).