N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C25H30N4O2S — CID 24794214

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1nc(C(C)NC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c(C)s1
InChIInChI=1S/C25H30N4O2S/c1-17(24-18(2)32-19(3)28-24)27-25(30)20-7-9-22(10-8-20)31-23-11-14-29(15-12-23)16-21-6-4-5-13-26-21/h4-10,13,17,23H,11-12,14-16H2,1-3H3,(H,27,30)
InChIKeyDMFQYRQSXUSKBA-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.69
Rot. Bonds7

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24794214) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24794214
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1nc(C(C)NC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c(C)s1
InChIInChI=1S/C25H30N4O2S/c1-17(24-18(2)32-19(3)28-24)27-25(30)20-7-9-22(10-8-20)31-23-11-14-29(15-12-23)16-21-6-4-5-13-26-21/h4-10,13,17,23H,11-12,14-16H2,1-3H3,(H,27,30)
InChIKeyDMFQYRQSXUSKBA-UHFFFAOYSA-N
XLogP4.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24794214) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is Cc1nc(C(C)NC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is DMFQYRQSXUSKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-17(24-18(2)32-19(3)28-24)27-25(30)20-7-9-22(10-8-20)31-23-11-14-29(15-12-23)16-21-6-4-5-13-26-21/h4-10,13,17,23H,11-12,14-16H2,1-3H3,(H,27,30).
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 450.61 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24794214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).