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

C19H23FN2O2S — CID 136550581

IUPAC2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
SMILESCC(C)c1csc(C2CCCN(C(C(=O)O)c3ccccc3F)C2)n1
InChIInChI=1S/C19H23FN2O2S/c1-12(2)16-11-25-18(21-16)13-6-5-9-22(10-13)17(19(23)24)14-7-3-4-8-15(14)20/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,23,24)
InChIKeyJYPUQIOMFHOTQD-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.41
Rot. Bonds5

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

2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid (PubChem CID 136550581) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
PubChem CID136550581
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
SMILESCC(C)c1csc(C2CCCN(C(C(=O)O)c3ccccc3F)C2)n1
InChIInChI=1S/C19H23FN2O2S/c1-12(2)16-11-25-18(21-16)13-6-5-9-22(10-13)17(19(23)24)14-7-3-4-8-15(14)20/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,23,24)
InChIKeyJYPUQIOMFHOTQD-UHFFFAOYSA-N
XLogP4.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid (CID 136550581) is 2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid is CC(C)c1csc(C2CCCN(C(C(=O)O)c3ccccc3F)C2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid?
The InChIKey is JYPUQIOMFHOTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-12(2)16-11-25-18(21-16)13-6-5-9-22(10-13)17(19(23)24)14-7-3-4-8-15(14)20/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid?
2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid has a molecular weight of 362.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 136550581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).