2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid

C14H22N2O2S — CID 62690788

IUPAC2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
SMILESCC(C)c1nc(CN2CCCC(CC(=O)O)C2)cs1
InChIInChI=1S/C14H22N2O2S/c1-10(2)14-15-12(9-19-14)8-16-5-3-4-11(7-16)6-13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyIZUQHJHGBNKGNC-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.95
Rot. Bonds5

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

2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid (PubChem CID 62690788) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
PubChem CID62690788
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
SMILESCC(C)c1nc(CN2CCCC(CC(=O)O)C2)cs1
InChIInChI=1S/C14H22N2O2S/c1-10(2)14-15-12(9-19-14)8-16-5-3-4-11(7-16)6-13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyIZUQHJHGBNKGNC-UHFFFAOYSA-N
XLogP2.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 55169627
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 63905100
2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 62688896
3-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 61487318
3-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]propanoic acid
CID 122101047
(5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 98768253
3-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63904958
N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344338
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 128976100

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid (CID 62690788) is 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid is CC(C)c1nc(CN2CCCC(CC(=O)O)C2)cs1.
What is the InChIKey of 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid?
The InChIKey is IZUQHJHGBNKGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(2)14-15-12(9-19-14)8-16-5-3-4-11(7-16)6-13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid?
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid has a molecular weight of 282.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).