N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide

C23H24N4O5S — CID 23144356

IUPACN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H24N4O5S/c28-20(15-5-10-30-11-6-15)21-19(17-2-1-9-32-17)25-23(33-21)26-22(29)16-3-4-18(24-14-16)27-7-12-31-13-8-27/h1-4,9,14-15H,5-8,10-13H2,(H,25,26,29)
InChIKeyTXRCPINOCKCONB-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.50
Rot. Bonds6

About N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 23144356) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID23144356
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H24N4O5S/c28-20(15-5-10-30-11-6-15)21-19(17-2-1-9-32-17)25-23(33-21)26-22(29)16-3-4-18(24-14-16)27-7-12-31-13-8-27/h1-4,9,14-15H,5-8,10-13H2,(H,25,26,29)
InChIKeyTXRCPINOCKCONB-UHFFFAOYSA-N
XLogP3.50
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.50
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]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 23144356) is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is TXRCPINOCKCONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c28-20(15-5-10-30-11-6-15)21-19(17-2-1-9-32-17)25-23(33-21)26-22(29)16-3-4-18(24-14-16)27-7-12-31-13-8-27/h1-4,9,14-15H,5-8,10-13H2,(H,25,26,29).
What are the key properties of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 3.50, 6 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]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 23144356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).