4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid

C10H14N2O2S — CID 28690643

IUPAC4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCCCC2)sc1C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-7-8(9(13)14)15-10(11-7)12-5-3-2-4-6-12/h2-6H2,1H3,(H,13,14)
InChIKeyOMKAKBOYDMVBTO-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.14
Rot. Bonds2

About 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid

4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 28690643) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid
PubChem CID28690643
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCCCC2)sc1C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-7-8(9(13)14)15-10(11-7)12-5-3-2-4-6-12/h2-6H2,1H3,(H,13,14)
InChIKeyOMKAKBOYDMVBTO-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid (CID 28690643) is 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CCCCC2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OMKAKBOYDMVBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-8(9(13)14)15-10(11-7)12-5-3-2-4-6-12/h2-6H2,1H3,(H,13,14).
What are the key properties of 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid?
4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 28690643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).