3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide

C22H26N4O4S — CID 25274455

IUPAC3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2cn3ccsc3n2)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C22H26N4O4S/c1-15(27)25-9-6-18(7-10-25)30-20-13-16(3-4-19(20)29-2)21(28)23-8-5-17-14-26-11-12-31-22(26)24-17/h3-4,11-14,18H,5-10H2,1-2H3,(H,23,28)
InChIKeyADQXZJHENWSNGX-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.77
Rot. Bonds7

About 3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide

3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide (PubChem CID 25274455) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide
PubChem CID25274455
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2cn3ccsc3n2)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C22H26N4O4S/c1-15(27)25-9-6-18(7-10-25)30-20-13-16(3-4-19(20)29-2)21(28)23-8-5-17-14-26-11-12-31-22(26)24-17/h3-4,11-14,18H,5-10H2,1-2H3,(H,23,28)
InChIKeyADQXZJHENWSNGX-UHFFFAOYSA-N
XLogP2.77
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide
CID 42289014
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 72936788
4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
CID 52563386
4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide
CID 72912652
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 110661566
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 24791204
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-sulfamoylbenzamide
CID 77083416
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 25366984
N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482697
3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 26408301
N-[2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-2-oxoethyl]benzamide
CID 110661562

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide (CID 25274455) is 3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide is COc1ccc(C(=O)NCCc2cn3ccsc3n2)cc1OC1CCN(C(C)=O)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide?
The InChIKey is ADQXZJHENWSNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-15(27)25-9-6-18(7-10-25)30-20-13-16(3-4-19(20)29-2)21(28)23-8-5-17-14-26-11-12-31-22(26)24-17/h3-4,11-14,18H,5-10H2,1-2H3,(H,23,28).
What are the key properties of 3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide?
3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide has a molecular weight of 442.54 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide is sourced from PubChem (CID 25274455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).