4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid

C11H16N2O3S — CID 86709207

IUPAC4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
SMILESCc1sc(C2CCN(C(=O)O)CC2)nc1CO
InChIInChI=1S/C11H16N2O3S/c1-7-9(6-14)12-10(17-7)8-2-4-13(5-3-8)11(15)16/h8,14H,2-6H2,1H3,(H,15,16)
InChIKeyVHOWZZIDGRUKJG-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.80
Rot. Bonds2

About 4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid

4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 86709207) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
PubChem CID86709207
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
SMILESCc1sc(C2CCN(C(=O)O)CC2)nc1CO
InChIInChI=1S/C11H16N2O3S/c1-7-9(6-14)12-10(17-7)8-2-4-13(5-3-8)11(15)16/h8,14H,2-6H2,1H3,(H,15,16)
InChIKeyVHOWZZIDGRUKJG-UHFFFAOYSA-N
XLogP1.80
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (CID 86709207) is 4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is Cc1sc(C2CCN(C(=O)O)CC2)nc1CO.
What is the InChIKey of 4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is VHOWZZIDGRUKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-9(6-14)12-10(17-7)8-2-4-13(5-3-8)11(15)16/h8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 86709207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).