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

C17H12Cl2N2O2S — CID 100950880

IUPAC2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2cccc(Cl)c2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O2S/c18-11-6-4-10(5-7-11)16-14(9-15(22)23)24-17(21-16)20-13-3-1-2-12(19)8-13/h1-8H,9H2,(H,20,21)(H,22,23)
InChIKeyGPOXHNVMMRDRAH-UHFFFAOYSA-N
MW379.27 g/mol
LogP5.49
Rot. Bonds5

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

2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 100950880) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is 2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID100950880
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2cccc(Cl)c2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O2S/c18-11-6-4-10(5-7-11)16-14(9-15(22)23)24-17(21-16)20-13-3-1-2-12(19)8-13/h1-8H,9H2,(H,20,21)(H,22,23)
InChIKeyGPOXHNVMMRDRAH-UHFFFAOYSA-N
XLogP5.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.27
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-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

Related Compounds

2-[2-(3-chloroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1342093
2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956720
5-(carboxymethyl)-2-(3-chloroanilino)-1,3-thiazole-4-carboxylic acid
CID 10425688
2-[2-(3-chloro-4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1001993
2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764
2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200227
2-[2-anilino-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 23913706
2-[2-(3,5-dichloroanilino)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 56695440
2-[4-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetic acid
CID 29264700
2-[2-(4-methylanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 2295082
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
CID 3145343

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid (CID 100950880) is 2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(Nc2cccc(Cl)c2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is GPOXHNVMMRDRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c18-11-6-4-10(5-7-11)16-14(9-15(22)23)24-17(21-16)20-13-3-1-2-12(19)8-13/h1-8H,9H2,(H,20,21)(H,22,23).
What are the key properties of 2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 379.27 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 100950880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).