2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid

C19H24N2O2S — CID 82032241

IUPAC2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCC1CCCCN1Cc1ccc(-c2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C19H24N2O2S/c1-2-17-5-3-4-10-21(17)12-14-6-8-15(9-7-14)19-20-16(13-24-19)11-18(22)23/h6-9,13,17H,2-5,10-12H2,1H3,(H,22,23)
InChIKeyJGVFFOHIVCCCON-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.20
Rot. Bonds6

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

2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 82032241) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID82032241
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCC1CCCCN1Cc1ccc(-c2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C19H24N2O2S/c1-2-17-5-3-4-10-21(17)12-14-6-8-15(9-7-14)19-20-16(13-24-19)11-18(22)23/h6-9,13,17H,2-5,10-12H2,1H3,(H,22,23)
InChIKeyJGVFFOHIVCCCON-UHFFFAOYSA-N
XLogP4.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82032323
3-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 84758629
4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104690534
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370722
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52505352
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345630
3-[(2-ethylazepan-1-yl)methyl]thiophene-2-carboxylic acid
CID 113441793
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 98022615

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid (CID 82032241) is 2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid is CCC1CCCCN1Cc1ccc(-c2nc(CC(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is JGVFFOHIVCCCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-17-5-3-4-10-21(17)12-14-6-8-15(9-7-14)19-20-16(13-24-19)11-18(22)23/h6-9,13,17H,2-5,10-12H2,1H3,(H,22,23).
What are the key properties of 2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 344.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82032241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).