2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid

C13H18N2O3S — CID 54899469

IUPAC2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid
SMILESCc1nc(CC(=O)N2CCCCC2CC(=O)O)cs1
InChIInChI=1S/C13H18N2O3S/c1-9-14-10(8-19-9)6-12(16)15-5-3-2-4-11(15)7-13(17)18/h8,11H,2-7H2,1H3,(H,17,18)
InChIKeyIVKNPFAZSNTMAR-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.85
Rot. Bonds4

About 2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid

2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid (PubChem CID 54899469) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid
PubChem CID54899469
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid
SMILESCc1nc(CC(=O)N2CCCCC2CC(=O)O)cs1
InChIInChI=1S/C13H18N2O3S/c1-9-14-10(8-19-9)6-12(16)15-5-3-2-4-11(15)7-13(17)18/h8,11H,2-7H2,1H3,(H,17,18)
InChIKeyIVKNPFAZSNTMAR-UHFFFAOYSA-N
XLogP1.85
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Endo)-8-{[2-(ethylthio)-1,3-thiazol-4-yl]acetyl}-8-azabicyclo[3.2.1]octan-3-ol
CID 50954281
1-[2-[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 132395580
1-{[2-(Ethylthio)-1,3-thiazol-4-yl]acetyl}piperidine-2-carboxylic acid
CID 47000553
1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone
CID 142437303
1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone
CID 142437313
2-[2-[[Methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-thiazol-4-yl]acetic acid
CID 39159532
2-[2-[(4-Acetylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 39159549
2-[2-[2-[Cyclohexyl(methyl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid
CID 39159849
2-[2-[2-[Methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid
CID 39159857
2-[2-[2-(4-Acetylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 39159875
2-[2-(2-Piperidin-1-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 39159883
2-[2-(1-Acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid
CID 39367038

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid (CID 54899469) is 2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid is Cc1nc(CC(=O)N2CCCCC2CC(=O)O)cs1.
What is the InChIKey of 2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid?
The InChIKey is IVKNPFAZSNTMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-14-10(8-19-9)6-12(16)15-5-3-2-4-11(15)7-13(17)18/h8,11H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid?
2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid has a molecular weight of 282.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).