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

C23H17ClN2O2S — CID 46230187

IUPAC2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(c2ccccc2)c2ccccn2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O2S/c24-17-11-9-16(10-12-17)22-19(14-20(27)28)29-23(26-22)21(15-6-2-1-3-7-15)18-8-4-5-13-25-18/h1-13,21H,14H2,(H,27,28)
InChIKeyFTDOLMWQXVZKCL-UHFFFAOYSA-N
MW420.92 g/mol
LogP5.67
Rot. Bonds6

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

2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 46230187) has the molecular formula C23H17ClN2O2S and a molecular weight of 420.92 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID46230187
Molecular FormulaC23H17ClN2O2S
Molecular Weight420.92 g/mol
Exact Mass420.07
IUPAC Name2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(c2ccccc2)c2ccccn2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O2S/c24-17-11-9-16(10-12-17)22-19(14-20(27)28)29-23(26-22)21(15-6-2-1-3-7-15)18-8-4-5-13-25-18/h1-13,21H,14H2,(H,27,28)
InChIKeyFTDOLMWQXVZKCL-UHFFFAOYSA-N
XLogP5.67
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fentiazac
CID 28871
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-fluoropyridin-4-yl)thiazol-5-yl)acetic acid
CID 46229845
2-[4-(4-Methylphenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 1955694
2-[5-(4-Methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid
CID 2384336
2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 2763924
2-(2-((4-Chlorophenyl)(phenyl)methyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 11495838
2-(2-Benzhydryl-4-(4-chlorophenyl)thiazol-5-yl)acetic acid
CID 11517351
2-(4-(4-Chlorophenyl)-2-((4-chlorophenyl)(phenyl)methyl)thiazol-5-yl)acetic acid
CID 11590561
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-methylpyridin-4-yl)thiazol-5-yl)acetic acid
CID 16118987
2-(4-(2-Aminopyridin-4-yl)-2-(bis(4-fluorophenyl)methyl)thiazol-5-yl)acetic acid
CID 16222206
2-(2-(Biphenyl-2-ylmethyl)-4-(4-chlorophenyl)thiazol-5-yl)acetic acid
CID 46229805
2-(4-(4-Chlorophenyl)-2-(1-phenylpropyl)thiazol-5-yl)acetic acid
CID 46229937

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid (CID 46230187) is 2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(C(c2ccccc2)c2ccccn2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is FTDOLMWQXVZKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2S/c24-17-11-9-16(10-12-17)22-19(14-20(27)28)29-23(26-22)21(15-6-2-1-3-7-15)18-8-4-5-13-25-18/h1-13,21H,14H2,(H,27,28).
What are the key properties of 2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 420.92 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-[phenyl(pyridin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 46230187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).