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

C19H22N4O2S — CID 177377619

IUPACN-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(C#CC2CCN(Cc3cnc(NC(C)=O)s3)CC2)n1
InChIInChI=1S/C19H22N4O2S/c1-14(24)21-19-20-12-17(26-19)13-23-10-8-15(9-11-23)6-7-16-4-3-5-18(22-16)25-2/h3-5,12,15H,8-11,13H2,1-2H3,(H,20,21,24)
InChIKeyGOCYYCTUVVMYNM-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.77
Rot. Bonds4

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

N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 177377619) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID177377619
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(C#CC2CCN(Cc3cnc(NC(C)=O)s3)CC2)n1
InChIInChI=1S/C19H22N4O2S/c1-14(24)21-19-20-12-17(26-19)13-23-10-8-15(9-11-23)6-7-16-4-3-5-18(22-16)25-2/h3-5,12,15H,8-11,13H2,1-2H3,(H,20,21,24)
InChIKeyGOCYYCTUVVMYNM-UHFFFAOYSA-N
XLogP2.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.77
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-[(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
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-methoxyphenyl)acetamide
CID 163368410
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
US20240000767, Example 32
CID 162435022
3-(5-Bromo-thiazol-2-yl)-1-cyclopentylmethyl-1-(6-methoxy-pyridin-3-yl)-urea
CID 44389929
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]-4-propoxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177311787
1-Cyclopentylmethyl-1-(6-methoxy-pyridin-3-yl)-3-thiazol-2-yl-urea
CID 44389920
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 177377619) is N-[5-[[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-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is COc1cccc(C#CC2CCN(Cc3cnc(NC(C)=O)s3)CC2)n1.
What is the InChIKey of N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is GOCYYCTUVVMYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14(24)21-19-20-12-17(26-19)13-23-10-8-15(9-11-23)6-7-16-4-3-5-18(22-16)25-2/h3-5,12,15H,8-11,13H2,1-2H3,(H,20,21,24).
What are the key properties of N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 177377619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).