2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid

C12H18N2O2S — CID 80575566

IUPAC2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC1CC(C)CN(c2nc(CC(=O)O)cs2)C1
InChIInChI=1S/C12H18N2O2S/c1-8-3-9(2)6-14(5-8)12-13-10(7-17-12)4-11(15)16/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyXZJFIWMVVPAHKP-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.25
Rot. Bonds3

About 2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 80575566) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID80575566
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC1CC(C)CN(c2nc(CC(=O)O)cs2)C1
InChIInChI=1S/C12H18N2O2S/c1-8-3-9(2)6-14(5-8)12-13-10(7-17-12)4-11(15)16/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyXZJFIWMVVPAHKP-UHFFFAOYSA-N
XLogP2.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid
CID 80575369
2-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576869
methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574515
2-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576803
2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575363
2-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575700
2-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576345
2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 16793348
2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 80576750
2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid
CID 110434121
ethyl 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 103541690
methyl 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]acetate
CID 80576427

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid (CID 80575566) is 2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid is CC1CC(C)CN(c2nc(CC(=O)O)cs2)C1.
What is the InChIKey of 2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XZJFIWMVVPAHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-3-9(2)6-14(5-8)12-13-10(7-17-12)4-11(15)16/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 254.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80575566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).