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

C21H12N4O4S — CID 23144520

IUPACN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccccn2)s1)c1cnc2occc2c1
InChIInChI=1S/C21H12N4O4S/c26-17(14-4-1-2-7-22-14)18-16(15-5-3-8-28-15)24-21(30-18)25-19(27)13-10-12-6-9-29-20(12)23-11-13/h1-11H,(H,24,25,27)
InChIKeyVCWTZMRDBMEPKE-UHFFFAOYSA-N
MW416.42 g/mol
LogP4.42
Rot. Bonds5

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

N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide (PubChem CID 23144520) has the molecular formula C21H12N4O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide
PubChem CID23144520
Molecular FormulaC21H12N4O4S
Molecular Weight416.42 g/mol
Exact Mass416.06
IUPAC NameN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccccn2)s1)c1cnc2occc2c1
InChIInChI=1S/C21H12N4O4S/c26-17(14-4-1-2-7-22-14)18-16(15-5-3-8-28-15)24-21(30-18)25-19(27)13-10-12-6-9-29-20(12)23-11-13/h1-11H,(H,24,25,27)
InChIKeyVCWTZMRDBMEPKE-UHFFFAOYSA-N
XLogP4.42
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 54.42
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-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide (CID 23144520) is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccccn2)s1)c1cnc2occc2c1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide?
The InChIKey is VCWTZMRDBMEPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4O4S/c26-17(14-4-1-2-7-22-14)18-16(15-5-3-8-28-15)24-21(30-18)25-19(27)13-10-12-6-9-29-20(12)23-11-13/h1-11H,(H,24,25,27).
What are the key properties of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide?
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide has a molecular weight of 416.42 g/mol, XLogP of 4.42, 5 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-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 23144520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).