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

C17H11Cl2NO2S — CID 159765786

IUPAC2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2ccc(Cl)cc2Cl)nc1-c1ccccc1
InChIInChI=1S/C17H11Cl2NO2S/c18-11-6-7-12(13(19)8-11)17-20-16(10-4-2-1-3-5-10)14(23-17)9-15(21)22/h1-8H,9H2,(H,21,22)
InChIKeyNFMCAQNATYCMBR-UHFFFAOYSA-N
MW364.25 g/mol
LogP5.41
Rot. Bonds4

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

2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 159765786) has the molecular formula C17H11Cl2NO2S and a molecular weight of 364.25 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID159765786
Molecular FormulaC17H11Cl2NO2S
Molecular Weight364.25 g/mol
Exact Mass362.99
IUPAC Name2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2ccc(Cl)cc2Cl)nc1-c1ccccc1
InChIInChI=1S/C17H11Cl2NO2S/c18-11-6-7-12(13(19)8-11)17-20-16(10-4-2-1-3-5-10)14(23-17)9-15(21)22/h1-8H,9H2,(H,21,22)
InChIKeyNFMCAQNATYCMBR-UHFFFAOYSA-N
XLogP5.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.25
LogP ≤ 55.41
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
5-Thiazoleacetic acid, 2-methyl-4-phenyl-
CID 214800
Thiazole-5-acetic acid, 2-benzylamino-4-(p-chlorophenyl)-
CID 3054243
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-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-(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-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 159765786) is 2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(-c2ccc(Cl)cc2Cl)nc1-c1ccccc1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is NFMCAQNATYCMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2S/c18-11-6-7-12(13(19)8-11)17-20-16(10-4-2-1-3-5-10)14(23-17)9-15(21)22/h1-8H,9H2,(H,21,22).
What are the key properties of 2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 364.25 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 159765786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).