N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide

C24H26N4O5S — CID 51000828

IUPACN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccnc(CN2CCOCC2)c1
InChIInChI=1S/C24H26N4O5S/c29-21(16-4-10-31-11-5-16)22-20(19-2-1-9-33-19)26-24(34-22)27-23(30)17-3-6-25-18(14-17)15-28-7-12-32-13-8-28/h1-3,6,9,14,16H,4-5,7-8,10-13,15H2,(H,26,27,30)
InChIKeyDKSNBIJEHCITJZ-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.49
Rot. Bonds7

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

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 51000828) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide
PubChem CID51000828
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccnc(CN2CCOCC2)c1
InChIInChI=1S/C24H26N4O5S/c29-21(16-4-10-31-11-5-16)22-20(19-2-1-9-33-19)26-24(34-22)27-23(30)17-3-6-25-18(14-17)15-28-7-12-32-13-8-28/h1-3,6,9,14,16H,4-5,7-8,10-13,15H2,(H,26,27,30)
InChIKeyDKSNBIJEHCITJZ-UHFFFAOYSA-N
XLogP3.49
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide (CID 51000828) is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccnc(CN2CCOCC2)c1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is DKSNBIJEHCITJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c29-21(16-4-10-31-11-5-16)22-20(19-2-1-9-33-19)26-24(34-22)27-23(30)17-3-6-25-18(14-17)15-28-7-12-32-13-8-28/h1-3,6,9,14,16H,4-5,7-8,10-13,15H2,(H,26,27,30).
What are the key properties of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide?
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 51000828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).