2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid

C13H19N3O4S — CID 63904542

IUPAC2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
SMILESCc1csc(NC(=O)CN2CCC(OCC(=O)O)CC2)n1
InChIInChI=1S/C13H19N3O4S/c1-9-8-21-13(14-9)15-11(17)6-16-4-2-10(3-5-16)20-7-12(18)19/h8,10H,2-7H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyRLZCQMUVLVSEIL-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.96
Rot. Bonds6

About 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63904542) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
PubChem CID63904542
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
SMILESCc1csc(NC(=O)CN2CCC(OCC(=O)O)CC2)n1
InChIInChI=1S/C13H19N3O4S/c1-9-8-21-13(14-9)15-11(17)6-16-4-2-10(3-5-16)20-7-12(18)19/h8,10H,2-7H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyRLZCQMUVLVSEIL-UHFFFAOYSA-N
XLogP0.96
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 79737494
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 41313078
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 63596576
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119905232
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 86773480
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81490149
2-[3-(methylamino)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 62547767
2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 34200972
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 60506544
2-(3-aminopiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119910055
2-[4-[3-(2-methoxyethyl)-2,4-dioxoimidazolidin-1-yl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 119103233

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid (CID 63904542) is 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid is Cc1csc(NC(=O)CN2CCC(OCC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is RLZCQMUVLVSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9-8-21-13(14-9)15-11(17)6-16-4-2-10(3-5-16)20-7-12(18)19/h8,10H,2-7H2,1H3,(H,18,19)(H,14,15,17).
What are the key properties of 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 313.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63904542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).