methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate

C16H23N3O3S — CID 97151812

IUPACmethyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
SMILESCOC(=O)[C@@H](O)C1CCN(Cc2c(C)nc3sc(C)cn23)CC1
InChIInChI=1S/C16H23N3O3S/c1-10-8-19-13(11(2)17-16(19)23-10)9-18-6-4-12(5-7-18)14(20)15(21)22-3/h8,12,14,20H,4-7,9H2,1-3H3/t14-/m0/s1
InChIKeyVCWKPIUDAFVSSD-AWEZNQCLSA-N
MW337.45 g/mol
LogP1.76
Rot. Bonds4

About methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate

methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate (PubChem CID 97151812) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
PubChem CID97151812
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Namemethyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
SMILESCOC(=O)[C@@H](O)C1CCN(Cc2c(C)nc3sc(C)cn23)CC1
InChIInChI=1S/C16H23N3O3S/c1-10-8-19-13(11(2)17-16(19)23-10)9-18-6-4-12(5-7-18)14(20)15(21)22-3/h8,12,14,20H,4-7,9H2,1-3H3/t14-/m0/s1
InChIKeyVCWKPIUDAFVSSD-AWEZNQCLSA-N
XLogP1.76
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 75497441
methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate
CID 75431209
methyl (2R)-2-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238863
methyl 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetate
CID 43625703
methyl (2S)-2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 129403207
methyl (2R)-2-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 99833623
N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 43625807
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide
CID 106344537
methyl (2S)-2-hydroxy-2-[1-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetate
CID 97002664
(2S)-2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489219
methyl (2S)-2-[1-[(1-cyanoindolizin-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238831
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79101097

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate?
The IUPAC name of methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate (CID 97151812) is methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate.
What is the SMILES notation for methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate?
The canonical SMILES for methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate is COC(=O)[C@@H](O)C1CCN(Cc2c(C)nc3sc(C)cn23)CC1.
What is the InChIKey of methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate?
The InChIKey is VCWKPIUDAFVSSD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-10-8-19-13(11(2)17-16(19)23-10)9-18-6-4-12(5-7-18)14(20)15(21)22-3/h8,12,14,20H,4-7,9H2,1-3H3/t14-/m0/s1.
What are the key properties of methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate?
methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate has a molecular weight of 337.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate is sourced from PubChem (CID 97151812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).