N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide

C23H26N3O2S+ — CID 2635803

IUPACN-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2nc3c(s2)C[NH+](Cc2ccccc2)CC3)c1
InChIInChI=1S/C23H25N3O2S/c1-2-17-9-6-10-19(13-17)28-16-22(27)25-23-24-20-11-12-26(15-21(20)29-23)14-18-7-4-3-5-8-18/h3-10,13H,2,11-12,14-16H2,1H3,(H,24,25,27)/p+1
InChIKeyPYNUAVOTZQRTGN-UHFFFAOYSA-O
MW408.55 g/mol
LogP2.86
Rot. Bonds7

About N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide

N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide (PubChem CID 2635803) has the molecular formula C23H26N3O2S+ and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide
PubChem CID2635803
Molecular FormulaC23H26N3O2S+
Molecular Weight408.55 g/mol
Exact Mass408.17
IUPAC NameN-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2nc3c(s2)C[NH+](Cc2ccccc2)CC3)c1
InChIInChI=1S/C23H25N3O2S/c1-2-17-9-6-10-19(13-17)28-16-22(27)25-23-24-20-11-12-26(15-21(20)29-23)14-18-7-4-3-5-8-18/h3-10,13H,2,11-12,14-16H2,1H3,(H,24,25,27)/p+1
InChIKeyPYNUAVOTZQRTGN-UHFFFAOYSA-O
XLogP2.86
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 2683000
2-(3-ethylphenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 51172807
2-(3-ethylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19178906
N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide
CID 8550745
N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide
CID 8890951
N-[3-[(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)amino]-3-oxopropyl]benzamide
CID 2682986
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 84559858
2-(3-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 1192500
2-(3-acetamidophenoxy)-N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 30377211
(3S)-N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8012341
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-methylphenoxy)acetamide
CID 51172739
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-nitrophenoxy)acetamide
CID 46408316

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide?
The IUPAC name of N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide (CID 2635803) is N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide.
What is the SMILES notation for N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide?
The canonical SMILES for N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide is CCc1cccc(OCC(=O)Nc2nc3c(s2)C[NH+](Cc2ccccc2)CC3)c1.
What is the InChIKey of N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide?
The InChIKey is PYNUAVOTZQRTGN-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N3O2S/c1-2-17-9-6-10-19(13-17)28-16-22(27)25-23-24-20-11-12-26(15-21(20)29-23)14-18-7-4-3-5-8-18/h3-10,13H,2,11-12,14-16H2,1H3,(H,24,25,27)/p+1.
What are the key properties of N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide?
N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide has a molecular weight of 408.55 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide is sourced from PubChem (CID 2635803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).