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

C12H9Cl2NO2S — CID 4659961

IUPAC2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1sc(CC(=O)O)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2NO2S/c1-6-12(15-10(18-6)5-11(16)17)8-3-2-7(13)4-9(8)14/h2-4H,5H2,1H3,(H,16,17)
InChIKeyBEVVNSODHSUMON-UHFFFAOYSA-N
MW302.18 g/mol
LogP4.05
Rot. Bonds3

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

2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid (PubChem CID 4659961) has the molecular formula C12H9Cl2NO2S and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
PubChem CID4659961
Molecular FormulaC12H9Cl2NO2S
Molecular Weight302.18 g/mol
Exact Mass300.97
IUPAC Name2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1sc(CC(=O)O)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2NO2S/c1-6-12(15-10(18-6)5-11(16)17)8-3-2-7(13)4-9(8)14/h2-4H,5H2,1H3,(H,16,17)
InChIKeyBEVVNSODHSUMON-UHFFFAOYSA-N
XLogP4.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-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-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112693890
2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
CID 133091115
2-[3-chloro-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088248
3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82452786
2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 159765786
2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17377181
2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58094854
2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133087191
2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9174035
1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 11296283
3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride
CID 154099500

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid (CID 4659961) is 2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid is Cc1sc(CC(=O)O)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid?
The InChIKey is BEVVNSODHSUMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2S/c1-6-12(15-10(18-6)5-11(16)17)8-3-2-7(13)4-9(8)14/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid?
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid has a molecular weight of 302.18 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 4659961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).