2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid

C12H16N2O3S — CID 39367038

IUPAC2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC(=O)N1CCC(c2nc(CC(=O)O)cs2)CC1
InChIInChI=1S/C12H16N2O3S/c1-8(15)14-4-2-9(3-5-14)12-13-10(7-18-12)6-11(16)17/h7,9H,2-6H2,1H3,(H,16,17)
InChIKeyRSEVPAAGKQVTBC-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.50
Rot. Bonds3

About 2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 39367038) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID39367038
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC(=O)N1CCC(c2nc(CC(=O)O)cs2)CC1
InChIInChI=1S/C12H16N2O3S/c1-8(15)14-4-2-9(3-5-14)12-13-10(7-18-12)6-11(16)17/h7,9H,2-6H2,1H3,(H,16,17)
InChIKeyRSEVPAAGKQVTBC-UHFFFAOYSA-N
XLogP1.50
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid (CID 39367038) is 2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid is CC(=O)N1CCC(c2nc(CC(=O)O)cs2)CC1.
What is the InChIKey of 2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is RSEVPAAGKQVTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8(15)14-4-2-9(3-5-14)12-13-10(7-18-12)6-11(16)17/h7,9H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 268.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 39367038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).