2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid

C13H20N2O2S — CID 119135138

IUPAC2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid
SMILESCCc1csc(C2CCCN(C(C)C(=O)O)C2)n1
InChIInChI=1S/C13H20N2O2S/c1-3-11-8-18-12(14-11)10-5-4-6-15(7-10)9(2)13(16)17/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeySYZSDSSGNSVXGN-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.36
Rot. Bonds4

About 2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid

2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid (PubChem CID 119135138) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid
PubChem CID119135138
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid
SMILESCCc1csc(C2CCCN(C(C)C(=O)O)C2)n1
InChIInChI=1S/C13H20N2O2S/c1-3-11-8-18-12(14-11)10-5-4-6-15(7-10)9(2)13(16)17/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeySYZSDSSGNSVXGN-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503625
4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120565277
(2R)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95767904
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one
CID 86951123
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119873585
4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid
CID 122023263
2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119873569
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119873612
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95767968

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid (CID 119135138) is 2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid is CCc1csc(C2CCCN(C(C)C(=O)O)C2)n1.
What is the InChIKey of 2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid?
The InChIKey is SYZSDSSGNSVXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-11-8-18-12(14-11)10-5-4-6-15(7-10)9(2)13(16)17/h8-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid?
2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid has a molecular weight of 268.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 119135138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).