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

C10H14N2O2S — CID 16788972

IUPAC1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
SMILESCc1csc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C10H14N2O2S/c1-7-6-15-10(11-7)12-4-2-8(3-5-12)9(13)14/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyOCCNNHHMDCZCNB-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.75
Rot. Bonds2

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

1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid (PubChem CID 16788972) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
PubChem CID16788972
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
SMILESCc1csc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C10H14N2O2S/c1-7-6-15-10(11-7)12-4-2-8(3-5-12)9(13)14/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyOCCNNHHMDCZCNB-UHFFFAOYSA-N
XLogP1.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid (CID 16788972) is 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid is Cc1csc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The InChIKey is OCCNNHHMDCZCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-6-15-10(11-7)12-4-2-8(3-5-12)9(13)14/h6,8H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 16788972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).