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

C25H20ClNO2S — CID 46230093

IUPAC2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(Cc2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClNO2S/c26-20-13-11-19(12-14-20)24-22(16-23(28)29)30-25(27-24)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,28,29)
InChIKeySGEBFVPESSRQLS-UHFFFAOYSA-N
MW433.96 g/mol
LogP6.47
Rot. Bonds7

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

2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 46230093) has the molecular formula C25H20ClNO2S and a molecular weight of 433.96 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID46230093
Molecular FormulaC25H20ClNO2S
Molecular Weight433.96 g/mol
Exact Mass433.09
IUPAC Name2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(Cc2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClNO2S/c26-20-13-11-19(12-14-20)24-22(16-23(28)29)30-25(27-24)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,28,29)
InChIKeySGEBFVPESSRQLS-UHFFFAOYSA-N
XLogP6.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.96
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fentiazac
CID 28871
2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
CID 2763923
2-(2-Benzhydryl-4-phenylthiazol-5-yl)acetic acid
CID 46230226
2-(4-(4-Chlorophenyl)-2-(diphenylamino)thiazol-5-yl)acetic acid
CID 16660290
5-Thiazoleacetic acid, 2-methyl-4-phenyl-
CID 214800
2-(2-(1,1-Diphenylethyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 46880900
3-(2-(Bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)thiazol-5-yl)propanoic acid
CID 46880901
2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 2763924
2-[2-(2-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 2764046
2-(2-((4-Chlorophenyl)(phenyl)methyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 11495838
2-(2-(Bis(4-fluorophenyl)methyl)-4-(3,4-difluorophenyl)thiazol-5-yl)acetic acid
CID 11496258
2-(2-Benzhydryl-4-(4-chlorophenyl)thiazol-5-yl)acetic acid
CID 11517351

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid (CID 46230093) is 2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(C(Cc2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is SGEBFVPESSRQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO2S/c26-20-13-11-19(12-14-20)24-22(16-23(28)29)30-25(27-24)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,28,29).
What are the key properties of 2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 433.96 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-(1,2-diphenylethyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 46230093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).