2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid

C13H20N2O2S — CID 82430991

IUPAC2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1nc(N2CCCC(C)C2)sc1CC(=O)O
InChIInChI=1S/C13H20N2O2S/c1-3-10-11(7-12(16)17)18-13(14-10)15-6-4-5-9(2)8-15/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyUBZOFILYGCPTDG-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.57
Rot. Bonds4

About 2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid

2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 82430991) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid
PubChem CID82430991
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1nc(N2CCCC(C)C2)sc1CC(=O)O
InChIInChI=1S/C13H20N2O2S/c1-3-10-11(7-12(16)17)18-13(14-10)15-6-4-5-9(2)8-15/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyUBZOFILYGCPTDG-UHFFFAOYSA-N
XLogP2.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82433345
3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82433351
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432991
4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62765777
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
[2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol
CID 62780489
1-[4-ethyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 55117606
4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82427919
2-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetonitrile
CID 82427908
N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764654
methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 78916486
N-[[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62767587

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid (CID 82430991) is 2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid is CCc1nc(N2CCCC(C)C2)sc1CC(=O)O.
What is the InChIKey of 2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is UBZOFILYGCPTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-10-11(7-12(16)17)18-13(14-10)15-6-4-5-9(2)8-15/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid?
2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 268.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82430991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).