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

C19H21FN4O2S — CID 177377617

IUPACN-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(C#CC2(F)CCN(Cc3cnc(NC(C)=O)s3)CC2)n1
InChIInChI=1S/C19H21FN4O2S/c1-14(25)22-18-21-12-16(27-18)13-24-10-8-19(20,9-11-24)7-6-15-4-3-5-17(23-15)26-2/h3-5,12H,8-11,13H2,1-2H3,(H,21,22,25)
InChIKeyFKRXQFNLYFYHNU-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.86
Rot. Bonds4

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

N-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 177377617) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID177377617
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC NameN-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(C#CC2(F)CCN(Cc3cnc(NC(C)=O)s3)CC2)n1
InChIInChI=1S/C19H21FN4O2S/c1-14(25)22-18-21-12-16(27-18)13-24-10-8-19(20,9-11-24)7-6-15-4-3-5-17(23-15)26-2/h3-5,12H,8-11,13H2,1-2H3,(H,21,22,25)
InChIKeyFKRXQFNLYFYHNU-UHFFFAOYSA-N
XLogP2.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
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
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-methoxyphenyl)acetamide
CID 163368410
US20240000767, Example 32
CID 162435022
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]-4-propoxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177311787
N-(5-methylthiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridyl]oxy]butanamide
CID 155544176
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-hydroxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377618
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377619

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 177377617) is N-[5-[[4-fluoro-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-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is COc1cccc(C#CC2(F)CCN(Cc3cnc(NC(C)=O)s3)CC2)n1.
What is the InChIKey of N-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FKRXQFNLYFYHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-14(25)22-18-21-12-16(27-18)13-24-10-8-19(20,9-11-24)7-6-15-4-3-5-17(23-15)26-2/h3-5,12H,8-11,13H2,1-2H3,(H,21,22,25).
What are the key properties of N-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-fluoro-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 177377617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).