4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid

C13H20N2O2S — CID 119135128

IUPAC4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
SMILESCc1csc(C2CCCCN2CCCC(=O)O)n1
InChIInChI=1S/C13H20N2O2S/c1-10-9-18-13(14-10)11-5-2-3-7-15(11)8-4-6-12(16)17/h9,11H,2-8H2,1H3,(H,16,17)
InChIKeyWXZYXLYXKCYJLJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.84
Rot. Bonds5

About 4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid

4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid (PubChem CID 119135128) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
PubChem CID119135128
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
SMILESCc1csc(C2CCCCN2CCCC(=O)O)n1
InChIInChI=1S/C13H20N2O2S/c1-10-9-18-13(14-10)11-5-2-3-7-15(11)8-4-6-12(16)17/h9,11H,2-8H2,1H3,(H,16,17)
InChIKeyWXZYXLYXKCYJLJ-UHFFFAOYSA-N
XLogP2.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid (CID 119135128) is 4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid is Cc1csc(C2CCCCN2CCCC(=O)O)n1.
What is the InChIKey of 4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid?
The InChIKey is WXZYXLYXKCYJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-9-18-13(14-10)11-5-2-3-7-15(11)8-4-6-12(16)17/h9,11H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid?
4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid has a molecular weight of 268.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 119135128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).