1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone

C18H23N3OS — CID 124964101

IUPAC1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Cc2ccc(-c3nc(C)c(C)s3)nc2)C1
InChIInChI=1S/C18H23N3OS/c1-12-13(2)23-18(20-12)17-7-6-15(10-19-17)9-16-5-4-8-21(11-16)14(3)22/h6-7,10,16H,4-5,8-9,11H2,1-3H3/t16-/m1/s1
InChIKeyHVDVDHZGWDKYNF-MRXNPFEDSA-N
MW329.47 g/mol
LogP3.62
Rot. Bonds3

About 1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone

1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 124964101) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID124964101
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Cc2ccc(-c3nc(C)c(C)s3)nc2)C1
InChIInChI=1S/C18H23N3OS/c1-12-13(2)23-18(20-12)17-7-6-15(10-19-17)9-16-5-4-8-21(11-16)14(3)22/h6-7,10,16H,4-5,8-9,11H2,1-3H3/t16-/m1/s1
InChIKeyHVDVDHZGWDKYNF-MRXNPFEDSA-N
XLogP3.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95821000
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958196
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
1-[(3S)-3-[[6-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958306
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124994449
1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 110100353
1-[(4S)-4-[(6-chloro-3-pyridinyl)methyl]azepan-1-yl]ethanone
CID 95804799
1-[4-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 110100409
3-[5-[[(3R)-1-acetylpyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 124984055
1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone
CID 73440134
2-methoxy-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 125022006
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124942713

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 124964101) is 1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](Cc2ccc(-c3nc(C)c(C)s3)nc2)C1.
What is the InChIKey of 1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is HVDVDHZGWDKYNF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-13(2)23-18(20-12)17-7-6-15(10-19-17)9-16-5-4-8-21(11-16)14(3)22/h6-7,10,16H,4-5,8-9,11H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 329.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[6-(4,5-dimethyl-1,3-thiazol-2-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124964101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).