2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

C10H14N2O2S — CID 62752431

IUPAC2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1CCN(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C10H14N2O2S/c1-7-2-4-12(5-3-7)10-11-6-8(15-10)9(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeySLLWHUMPKXRVNI-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.08
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 62752431) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID62752431
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1CCN(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C10H14N2O2S/c1-7-2-4-12(5-3-7)10-11-6-8(15-10)9(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeySLLWHUMPKXRVNI-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 62752431) is 2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is CC1CCN(c2ncc(C(=O)O)s2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SLLWHUMPKXRVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-2-4-12(5-3-7)10-11-6-8(15-10)9(13)14/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62752431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).