2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid

C19H24N2O2S — CID 97180956

IUPAC2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1cc(C)c(-c2nc(N3CCCCC3)sc2CC(=O)O)c(C)c1
InChIInChI=1S/C19H24N2O2S/c1-12-9-13(2)17(14(3)10-12)18-15(11-16(22)23)24-19(20-18)21-7-5-4-6-8-21/h9-10H,4-8,11H2,1-3H3,(H,22,23)
InChIKeyLZYAIEAVLYVWOQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.35
Rot. Bonds4

About 2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid

2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 97180956) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID97180956
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1cc(C)c(-c2nc(N3CCCCC3)sc2CC(=O)O)c(C)c1
InChIInChI=1S/C19H24N2O2S/c1-12-9-13(2)17(14(3)10-12)18-15(11-16(22)23)24-19(20-18)21-7-5-4-6-8-21/h9-10H,4-8,11H2,1-3H3,(H,22,23)
InChIKeyLZYAIEAVLYVWOQ-UHFFFAOYSA-N
XLogP4.35
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 97180956) is 2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid is Cc1cc(C)c(-c2nc(N3CCCCC3)sc2CC(=O)O)c(C)c1.
What is the InChIKey of 2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is LZYAIEAVLYVWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-12-9-13(2)17(14(3)10-12)18-15(11-16(22)23)24-19(20-18)21-7-5-4-6-8-21/h9-10H,4-8,11H2,1-3H3,(H,22,23).
What are the key properties of 2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 344.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-piperidin-1-yl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 97180956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).