2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

C11H6Cl2NO2S- — CID 7745206

IUPAC2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccc(Cl)cc2Cl)sc1C(=O)[O-]
InChIInChI=1S/C11H7Cl2NO2S/c1-5-9(11(15)16)17-10(14-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3,(H,15,16)/p-1
InChIKeyZEQMLJVLQKBPNX-UHFFFAOYSA-M
MW287.15 g/mol
LogP2.79
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 7745206) has the molecular formula C11H6Cl2NO2S- and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID7745206
Molecular FormulaC11H6Cl2NO2S-
Molecular Weight287.15 g/mol
Exact Mass285.95
IUPAC Name2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccc(Cl)cc2Cl)sc1C(=O)[O-]
InChIInChI=1S/C11H7Cl2NO2S/c1-5-9(11(15)16)17-10(14-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3,(H,15,16)/p-1
InChIKeyZEQMLJVLQKBPNX-UHFFFAOYSA-M
XLogP2.79
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate 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-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide
CID 82427144
1-[2-(4-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55181555
2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 59337760
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 7745333
4-methyl-2-[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7895987
1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82193718
2-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360505
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-[(3-hydroxy-4-methoxyphenyl)methylideneamino]ethanone
CID 158922091
2-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 9158713
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095
2-(2-chloro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965126

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 7745206) is 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccc(Cl)cc2Cl)sc1C(=O)[O-].
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZEQMLJVLQKBPNX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H7Cl2NO2S/c1-5-9(11(15)16)17-10(14-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3,(H,15,16)/p-1.
What are the key properties of 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 287.15 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7745206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).