3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid

C14H22N2O2S — CID 115087902

IUPAC3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCC(C)N1CCC(c2nc(CCC(=O)O)cs2)CC1
InChIInChI=1S/C14H22N2O2S/c1-10(2)16-7-5-11(6-8-16)14-15-12(9-19-14)3-4-13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyIQXMNARKOIPXKT-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.75
Rot. Bonds5

About 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid

3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 115087902) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID115087902
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCC(C)N1CCC(c2nc(CCC(=O)O)cs2)CC1
InChIInChI=1S/C14H22N2O2S/c1-10(2)16-7-5-11(6-8-16)14-15-12(9-19-14)3-4-13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyIQXMNARKOIPXKT-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]butan-2-one
CID 116890294
3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087775
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole
CID 58547619
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115077232
1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 115087846
2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 79657361
2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid
CID 119135138
3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103486210
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
CID 116889289
4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
CID 116965847
4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 71841858

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid (CID 115087902) is 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid is CC(C)N1CCC(c2nc(CCC(=O)O)cs2)CC1.
What is the InChIKey of 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is IQXMNARKOIPXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(2)16-7-5-11(6-8-16)14-15-12(9-19-14)3-4-13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 282.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 115087902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).