N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C21H26N4O3S — CID 177377615

IUPACN-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCOC1(C#Cc2cccc(OC)n2)CCN(Cc2cnc(NC(C)=O)s2)CC1
InChIInChI=1S/C21H26N4O3S/c1-4-28-21(9-8-17-6-5-7-19(24-17)27-3)10-12-25(13-11-21)15-18-14-22-20(29-18)23-16(2)26/h5-7,14H,4,10-13,15H2,1-3H3,(H,22,23,26)
InChIKeyUXFJUQWEPMNKJE-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.93
Rot. Bonds6

About N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 177377615) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID177377615
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCOC1(C#Cc2cccc(OC)n2)CCN(Cc2cnc(NC(C)=O)s2)CC1
InChIInChI=1S/C21H26N4O3S/c1-4-28-21(9-8-17-6-5-7-19(24-17)27-3)10-12-25(13-11-21)15-18-14-22-20(29-18)23-16(2)26/h5-7,14H,4,10-13,15H2,1-3H3,(H,22,23,26)
InChIKeyUXFJUQWEPMNKJE-UHFFFAOYSA-N
XLogP2.93
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]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-(6-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 46872298
1-[(2S)-2-(cyclopropylmethoxy)propyl]-3-[5-[2-(2-methoxy-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 59615751
1-[2-(Cyclopropylmethoxy)ethyl]-3-[5-[2-(2-methoxy-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 59615769
N-[5-[[2-(2-methoxy-6-methyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135301960
N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162650153
N-[5-[[(3S,5S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162650547
N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162661540
N-[5-[[8-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-2-azaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162669885
N-[5-[[(3R,5S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162674595
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 163368466
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]-4-propoxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177311787
5-(6-Morpholino-4-phenoxypyridin-2-yl)thiazol-2-amine
CID 146173838

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 177377615) is N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCOC1(C#Cc2cccc(OC)n2)CCN(Cc2cnc(NC(C)=O)s2)CC1.
What is the InChIKey of N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is UXFJUQWEPMNKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-4-28-21(9-8-17-6-5-7-19(24-17)27-3)10-12-25(13-11-21)15-18-14-22-20(29-18)23-16(2)26/h5-7,14H,4,10-13,15H2,1-3H3,(H,22,23,26).
What are the key properties of N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 177377615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).