2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid

C13H20N2O2S — CID 116889189

IUPAC2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCN1CCC(c2nc(C(C)(C)C(=O)O)cs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-13(2,12(16)17)10-8-18-11(14-10)9-4-6-15(3)7-5-9/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeySKVPZCIUSYDPNN-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.31
Rot. Bonds3

About 2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid

2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 116889189) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID116889189
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCN1CCC(c2nc(C(C)(C)C(=O)O)cs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-13(2,12(16)17)10-8-18-11(14-10)9-4-6-15(3)7-5-9/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeySKVPZCIUSYDPNN-UHFFFAOYSA-N
XLogP2.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 113369888
methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate
CID 116890141
2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
CID 116889343
4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]butan-2-one
CID 116890294
3-amino-3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116890756
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369962
N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116888553
N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 71931180
tert-butyl 4-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 23963991
oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 154880206
3-methyl-3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butanoic acid
CID 116965771
2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol
CID 121449499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid (CID 116889189) is 2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid is CN1CCC(c2nc(C(C)(C)C(=O)O)cs2)CC1.
What is the InChIKey of 2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is SKVPZCIUSYDPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,12(16)17)10-8-18-11(14-10)9-4-6-15(3)7-5-9/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 268.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 116889189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).