2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid

C22H21ClN2O2S — CID 46229938

IUPAC2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C2(c3ccccc3)CCNCC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O2S/c23-17-8-6-15(7-9-17)20-18(14-19(26)27)28-21(25-20)22(10-12-24-13-11-22)16-4-2-1-3-5-16/h1-9,24H,10-14H2,(H,26,27)
InChIKeySVOLDBJYHRIHMU-UHFFFAOYSA-N
MW412.94 g/mol
LogP4.76
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid

2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 46229938) has the molecular formula C22H21ClN2O2S and a molecular weight of 412.94 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid
PubChem CID46229938
Molecular FormulaC22H21ClN2O2S
Molecular Weight412.94 g/mol
Exact Mass412.10
IUPAC Name2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C2(c3ccccc3)CCNCC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O2S/c23-17-8-6-15(7-9-17)20-18(14-19(26)27)28-21(25-20)22(10-12-24-13-11-22)16-4-2-1-3-5-16/h1-9,24H,10-14H2,(H,26,27)
InChIKeySVOLDBJYHRIHMU-UHFFFAOYSA-N
XLogP4.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-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-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid (CID 46229938) is 2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(C2(c3ccccc3)CCNCC2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is SVOLDBJYHRIHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2S/c23-17-8-6-15(7-9-17)20-18(14-19(26)27)28-21(25-20)22(10-12-24-13-11-22)16-4-2-1-3-5-16/h1-9,24H,10-14H2,(H,26,27).
What are the key properties of 2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 412.94 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 46229938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).