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

C12H18N2O2S — CID 115091039

IUPAC2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCN1CCCCC1Cc1ncc(CC(=O)O)s1
InChIInChI=1S/C12H18N2O2S/c1-14-5-3-2-4-9(14)6-11-13-8-10(17-11)7-12(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyLVPIHIVZKOBXEM-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.80
Rot. Bonds4

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

2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 115091039) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID115091039
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCN1CCCCC1Cc1ncc(CC(=O)O)s1
InChIInChI=1S/C12H18N2O2S/c1-14-5-3-2-4-9(14)6-11-13-8-10(17-11)7-12(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyLVPIHIVZKOBXEM-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091040
2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82424977
1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115090753
3-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086271
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82425086
2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 115089869
2-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 106023950
6-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 65471120
1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
CID 115092798
4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 81225049
1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol
CID 115086123
3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 115090322

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid (CID 115091039) is 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid is CN1CCCCC1Cc1ncc(CC(=O)O)s1.
What is the InChIKey of 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is LVPIHIVZKOBXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-14-5-3-2-4-9(14)6-11-13-8-10(17-11)7-12(15)16/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 254.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 115091039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).