1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid

C13H20N2O2S — CID 67624418

IUPAC1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid
SMILESCCC(c1csc(C)n1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H20N2O2S/c1-3-12(11-8-18-9(2)14-11)15-6-4-10(5-7-15)13(16)17/h8,10,12H,3-7H2,1-2H3,(H,16,17)
InChIKeyZWCMNNIXGLCHNK-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.70
Rot. Bonds4

About 1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid

1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid (PubChem CID 67624418) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid
PubChem CID67624418
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid
SMILESCCC(c1csc(C)n1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H20N2O2S/c1-3-12(11-8-18-9(2)14-11)15-6-4-10(5-7-15)13(16)17/h8,10,12H,3-7H2,1-2H3,(H,16,17)
InChIKeyZWCMNNIXGLCHNK-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 4223664
1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 4681970
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
CID 5196353
1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid
CID 3363485
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619
1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 112586688
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 172582162
1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid
CID 4677151
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole
CID 130703054
(2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
CID 124623176

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid (CID 67624418) is 1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid is CCC(c1csc(C)n1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid?
The InChIKey is ZWCMNNIXGLCHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-12(11-8-18-9(2)14-11)15-6-4-10(5-7-15)13(16)17/h8,10,12H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid?
1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 67624418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).