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

C17H22N2O2S2 — CID 136551426

IUPAC2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid
SMILESCCc1csc(CC2CCN(C(C(=O)O)c3ccsc3)CC2)n1
InChIInChI=1S/C17H22N2O2S2/c1-2-14-11-23-15(18-14)9-12-3-6-19(7-4-12)16(17(20)21)13-5-8-22-10-13/h5,8,10-12,16H,2-4,6-7,9H2,1H3,(H,20,21)
InChIKeyFHXXAKNKMHGXLZ-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.85
Rot. Bonds6

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

2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid (PubChem CID 136551426) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid
PubChem CID136551426
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid
SMILESCCc1csc(CC2CCN(C(C(=O)O)c3ccsc3)CC2)n1
InChIInChI=1S/C17H22N2O2S2/c1-2-14-11-23-15(18-14)9-12-3-6-19(7-4-12)16(17(20)21)13-5-8-22-10-13/h5,8,10-12,16H,2-4,6-7,9H2,1H3,(H,20,21)
InChIKeyFHXXAKNKMHGXLZ-UHFFFAOYSA-N
XLogP3.85
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid with MolForge

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Related Compounds

2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid
CID 136551428
(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 164642362
2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid
CID 84749119
2-(4-cyclopropylsulfonylpiperazin-1-yl)-2-thiophen-3-ylacetic acid
CID 136555489
2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid
CID 72905100
2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 136550586
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
(2R)-2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-thiophen-3-ylacetic acid
CID 124928954
3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 115088049
methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate
CID 119036739
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115088171

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid?
The IUPAC name of 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid (CID 136551426) is 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid.
What is the SMILES notation for 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid?
The canonical SMILES for 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid is CCc1csc(CC2CCN(C(C(=O)O)c3ccsc3)CC2)n1.
What is the InChIKey of 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid?
The InChIKey is FHXXAKNKMHGXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-2-14-11-23-15(18-14)9-12-3-6-19(7-4-12)16(17(20)21)13-5-8-22-10-13/h5,8,10-12,16H,2-4,6-7,9H2,1H3,(H,20,21).
What are the key properties of 2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid?
2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid has a molecular weight of 350.51 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-thiophen-3-ylacetic acid is sourced from PubChem (CID 136551426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).