2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid

C19H24N2O2S — CID 136551428

IUPAC2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid
SMILESCCc1csc(CC2CCN(C(C(=O)O)c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N2O2S/c1-2-16-13-24-17(20-16)12-14-8-10-21(11-9-14)18(19(22)23)15-6-4-3-5-7-15/h3-7,13-14,18H,2,8-12H2,1H3,(H,22,23)
InChIKeyHFZLCVSAYOEAQB-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.79
Rot. Bonds6

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

2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid (PubChem CID 136551428) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid
PubChem CID136551428
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid
SMILESCCc1csc(CC2CCN(C(C(=O)O)c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N2O2S/c1-2-16-13-24-17(20-16)12-14-8-10-21(11-9-14)18(19(22)23)15-6-4-3-5-7-15/h3-7,13-14,18H,2,8-12H2,1H3,(H,22,23)
InChIKeyHFZLCVSAYOEAQB-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 136551426
2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride
CID 118798723
2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 94600648
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
(2S)-2-phenyl-2-[4-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidin-1-yl]piperidin-1-yl]acetic acid
CID 157242341
1-(4-benzylpiperidin-1-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone
CID 110386760
3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 115088049
2-phenyl-2-(3-propylazetidin-1-yl)acetic acid
CID 79687022
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115088171
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95282210
2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 110891598

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid?
The IUPAC name of 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid (CID 136551428) is 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid.
What is the SMILES notation for 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid?
The canonical SMILES for 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid is CCc1csc(CC2CCN(C(C(=O)O)c3ccccc3)CC2)n1.
What is the InChIKey of 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid?
The InChIKey is HFZLCVSAYOEAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-16-13-24-17(20-16)12-14-8-10-21(11-9-14)18(19(22)23)15-6-4-3-5-7-15/h3-7,13-14,18H,2,8-12H2,1H3,(H,22,23).
What are the key properties of 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid?
2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid has a molecular weight of 344.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid is sourced from PubChem (CID 136551428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).