2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid

C24H18FNO2S — CID 11611100

IUPAC2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H18FNO2S/c25-19-13-11-18(12-14-19)23-20(15-21(27)28)29-24(26-23)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2,(H,27,28)
InChIKeyRQZPTTAHWVRWET-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.76
Rot. Bonds6

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

2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 11611100) has the molecular formula C24H18FNO2S and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID11611100
Molecular FormulaC24H18FNO2S
Molecular Weight403.48 g/mol
Exact Mass403.10
IUPAC Name2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H18FNO2S/c25-19-13-11-18(12-14-19)23-20(15-21(27)28)29-24(26-23)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2,(H,27,28)
InChIKeyRQZPTTAHWVRWET-UHFFFAOYSA-N
XLogP5.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-benzhydryl-4-(4-fluorophenyl)-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-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid (CID 11611100) is 2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is RQZPTTAHWVRWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO2S/c25-19-13-11-18(12-14-19)23-20(15-21(27)28)29-24(26-23)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2,(H,27,28).
What are the key properties of 2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 403.48 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzhydryl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 11611100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).