1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone

C17H21N3OS — CID 110100353

IUPAC1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2ccnc(-c3nc(C)cs3)c2)C1
InChIInChI=1S/C17H21N3OS/c1-12-11-22-17(19-12)16-9-14(5-6-18-16)8-15-4-3-7-20(10-15)13(2)21/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3
InChIKeyHOCXNHXYQYXBCI-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.31
Rot. Bonds3

About 1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone

1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 110100353) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID110100353
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2ccnc(-c3nc(C)cs3)c2)C1
InChIInChI=1S/C17H21N3OS/c1-12-11-22-17(19-12)16-9-14(5-6-18-16)8-15-4-3-7-20(10-15)13(2)21/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3
InChIKeyHOCXNHXYQYXBCI-UHFFFAOYSA-N
XLogP3.31
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole
CID 110100349
1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110100464
1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124998664
1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124991548
1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone
CID 73440134
1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124964101
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958196
1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 110269115
1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95821000
1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone
CID 166269421

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 110100353) is 1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(Cc2ccnc(-c3nc(C)cs3)c2)C1.
What is the InChIKey of 1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is HOCXNHXYQYXBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12-11-22-17(19-12)16-9-14(5-6-18-16)8-15-4-3-7-20(10-15)13(2)21/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone?
1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 315.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110100353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).