2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid

C12H18N2O2S — CID 63020312

IUPAC2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid
SMILESCc1ncc(CN2CCCCC2CC(=O)O)s1
InChIInChI=1S/C12H18N2O2S/c1-9-13-7-11(17-9)8-14-5-3-2-4-10(14)6-12(15)16/h7,10H,2-6,8H2,1H3,(H,15,16)
InChIKeyHWPFKYIIWUFTDS-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.28
Rot. Bonds4

About 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid

2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid (PubChem CID 63020312) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid
PubChem CID63020312
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid
SMILESCc1ncc(CN2CCCCC2CC(=O)O)s1
InChIInChI=1S/C12H18N2O2S/c1-9-13-7-11(17-9)8-14-5-3-2-4-10(14)6-12(15)16/h7,10H,2-6,8H2,1H3,(H,15,16)
InChIKeyHWPFKYIIWUFTDS-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 136576178
6-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-6-oxohexanoic acid
CID 54875978
Methyl 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate
CID 55134329
4-[(2-Methyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]butanoic acid
CID 55144831
2-[1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid
CID 55145023
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 55165704
1-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60950878
2-[1-[(2-Methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 61509186
3-[1-[(2-Methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62212038
3-[4-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propanoic acid
CID 63018891
3-[(2-Methyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanoic acid
CID 63019605
1-[1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 63020483

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid (CID 63020312) is 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid is Cc1ncc(CN2CCCCC2CC(=O)O)s1.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid?
The InChIKey is HWPFKYIIWUFTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-13-7-11(17-9)8-14-5-3-2-4-10(14)6-12(15)16/h7,10H,2-6,8H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid?
2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid has a molecular weight of 254.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 63020312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).