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

C12H18N2O2S — CID 82191374

IUPAC2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCC1CCN(CCc2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C12H18N2O2S/c1-9-2-5-14(6-3-9)7-4-11-13-8-10(17-11)12(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyPRDMGRUWRCQLPP-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.12
Rot. Bonds4

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

2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 82191374) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID82191374
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCC1CCN(CCc2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C12H18N2O2S/c1-9-2-5-14(6-3-9)7-4-11-13-8-10(17-11)12(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyPRDMGRUWRCQLPP-UHFFFAOYSA-N
XLogP2.12
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid (CID 82191374) is 2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid is CC1CCN(CCc2ncc(C(=O)O)s2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is PRDMGRUWRCQLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-2-5-14(6-3-9)7-4-11-13-8-10(17-11)12(15)16/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid?
2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82191374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).