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

C24H17Cl2NO2S — CID 11590561

IUPAC2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(c2ccccc2)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H17Cl2NO2S/c25-18-10-6-16(7-11-18)22(15-4-2-1-3-5-15)24-27-23(20(30-24)14-21(28)29)17-8-12-19(26)13-9-17/h1-13,22H,14H2,(H,28,29)
InChIKeyRSXKKNQRSFGEQT-UHFFFAOYSA-N
MW454.38 g/mol
LogP6.92
Rot. Bonds6

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

2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 11590561) has the molecular formula C24H17Cl2NO2S and a molecular weight of 454.38 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID11590561
Molecular FormulaC24H17Cl2NO2S
Molecular Weight454.38 g/mol
Exact Mass453.04
IUPAC Name2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(c2ccccc2)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H17Cl2NO2S/c25-18-10-6-16(7-11-18)22(15-4-2-1-3-5-15)24-27-23(20(30-24)14-21(28)29)17-8-12-19(26)13-9-17/h1-13,22H,14H2,(H,28,29)
InChIKeyRSXKKNQRSFGEQT-UHFFFAOYSA-N
XLogP6.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.38
LogP ≤ 56.92
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
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
2-(2-Benzhydryl-4-(3,4-difluorophenyl)thiazol-5-yl)acetic acid
CID 11531874

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid (CID 11590561) is 2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(C(c2ccccc2)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is RSXKKNQRSFGEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO2S/c25-18-10-6-16(7-11-18)22(15-4-2-1-3-5-15)24-27-23(20(30-24)14-21(28)29)17-8-12-19(26)13-9-17/h1-13,22H,14H2,(H,28,29).
What are the key properties of 2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 454.38 g/mol, XLogP of 6.92, 6 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-[(4-chlorophenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 11590561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).