2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid

C14H22N2O2S — CID 79606170

IUPAC2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid
SMILESCc1nc(C(C)N2CCC(CC(=O)O)CC2)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-9(14-10(2)19-11(3)15-14)16-6-4-12(5-7-16)8-13(17)18/h9,12H,4-8H2,1-3H3,(H,17,18)
InChIKeyHBEKESWJHAHVHN-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.01
Rot. Bonds4

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

2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid (PubChem CID 79606170) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid
PubChem CID79606170
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid
SMILESCc1nc(C(C)N2CCC(CC(=O)O)CC2)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-9(14-10(2)19-11(3)15-14)16-6-4-12(5-7-16)8-13(17)18/h9,12H,4-8H2,1-3H3,(H,17,18)
InChIKeyHBEKESWJHAHVHN-UHFFFAOYSA-N
XLogP3.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid
CID 65062393
1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382529
N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
CID 63754604
3-amino-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107321343
2-[1-[1-(5-bromothiophen-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606534
2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79609925
2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606610
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010
2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid
CID 65059809
1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone
CID 43745928
2-[1-[1-(2-chloro-4-fluorophenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606465
CID 89058382
CID 89058382

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid (CID 79606170) is 2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid is Cc1nc(C(C)N2CCC(CC(=O)O)CC2)c(C)s1.
What is the InChIKey of 2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid?
The InChIKey is HBEKESWJHAHVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9(14-10(2)19-11(3)15-14)16-6-4-12(5-7-16)8-13(17)18/h9,12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid?
2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid has a molecular weight of 282.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).