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

C19H22N4O3S — CID 177377618

IUPACN-[5-[[4-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(C#CC2(O)CCN(Cc3cnc(NC(C)=O)s3)CC2)n1
InChIInChI=1S/C19H22N4O3S/c1-14(24)21-18-20-12-16(27-18)13-23-10-8-19(25,9-11-23)7-6-15-4-3-5-17(22-15)26-2/h3-5,12,25H,8-11,13H2,1-2H3,(H,20,21,24)
InChIKeyMGDGWCXCTALAFJ-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.88
Rot. Bonds4

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

N-[5-[[4-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 177377618) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[5-[[4-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID177377618
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[5-[[4-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(C#CC2(O)CCN(Cc3cnc(NC(C)=O)s3)CC2)n1
InChIInChI=1S/C19H22N4O3S/c1-14(24)21-18-20-12-16(27-18)13-23-10-8-19(25,9-11-23)7-6-15-4-3-5-17(22-15)26-2/h3-5,12,25H,8-11,13H2,1-2H3,(H,20,21,24)
InChIKeyMGDGWCXCTALAFJ-UHFFFAOYSA-N
XLogP1.88
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(6-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 46872298
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-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]-4-propoxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177311787
N-[5-[[4-methoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377614
N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377615
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]-4-phenylmethoxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377616
N-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377617
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377619
N-[5-[[4-[2-(6-methoxypyridazin-3-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377630
US20240308995, Example 1-5
CID 146448589
US20240308995, Example 1-2
CID 146448604
US20240308995, Example 1-3
CID 153027227

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 177377618) is N-[5-[[4-hydroxy-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-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is COc1cccc(C#CC2(O)CCN(Cc3cnc(NC(C)=O)s3)CC2)n1.
What is the InChIKey of N-[5-[[4-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MGDGWCXCTALAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-14(24)21-18-20-12-16(27-18)13-23-10-8-19(25,9-11-23)7-6-15-4-3-5-17(22-15)26-2/h3-5,12,25H,8-11,13H2,1-2H3,(H,20,21,24).
What are the key properties of N-[5-[[4-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 177377618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).