N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide

C25H24N4O3S — CID 23144166

IUPACN-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccncc2)s1)c1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C25H24N4O3S/c30-20-9-13-29(14-10-20)16-17-3-5-19(6-4-17)24(31)28-25-27-22(21-2-1-15-32-21)23(33-25)18-7-11-26-12-8-18/h1-8,11-12,15,20,30H,9-10,13-14,16H2,(H,27,28,31)
InChIKeyIBHNLRBVDCVDOZ-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.67
Rot. Bonds6

About N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide

N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide (PubChem CID 23144166) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
PubChem CID23144166
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccncc2)s1)c1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C25H24N4O3S/c30-20-9-13-29(14-10-20)16-17-3-5-19(6-4-17)24(31)28-25-27-22(21-2-1-15-32-21)23(33-25)18-7-11-26-12-8-18/h1-8,11-12,15,20,30H,9-10,13-14,16H2,(H,27,28,31)
InChIKeyIBHNLRBVDCVDOZ-UHFFFAOYSA-N
XLogP4.67
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide (CID 23144166) is N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide is O=C(Nc1nc(-c2ccco2)c(-c2ccncc2)s1)c1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide?
The InChIKey is IBHNLRBVDCVDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c30-20-9-13-29(14-10-20)16-17-3-5-19(6-4-17)24(31)28-25-27-22(21-2-1-15-32-21)23(33-25)18-7-11-26-12-8-18/h1-8,11-12,15,20,30H,9-10,13-14,16H2,(H,27,28,31).
What are the key properties of N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide?
N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide has a molecular weight of 460.56 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 23144166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).