2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid

C12H10Cl2N2O2S — CID 177377304

IUPAC2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(CCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C12H10Cl2N2O2S/c13-7-3-1-6(8(14)5-7)2-4-9-10(11(17)18)16-12(15)19-9/h1,3,5H,2,4H2,(H2,15,16)(H,17,18)
InChIKeyIBCKRAHHFOYQCX-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.52
Rot. Bonds4

About 2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid

2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 177377304) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID177377304
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(CCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C12H10Cl2N2O2S/c13-7-3-1-6(8(14)5-7)2-4-9-10(11(17)18)16-12(15)19-9/h1,3,5H,2,4H2,(H2,15,16)(H,17,18)
InChIKeyIBCKRAHHFOYQCX-UHFFFAOYSA-N
XLogP3.52
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic 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

Methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 2763352
2-Amino-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 18322993
2-Azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 168719749
Methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate
CID 2768487
2-Amino-4-(4-chlorophenyl)-5-thiazolecarboxylic acid
CID 44384685
2-Azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid
CID 165901889
2-Amino-5-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 177377300
2-Amino-5-[2-(4-tert-butylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 177377302
2-Amino-5-[2-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 177377303
2-Amino-5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 177377305
2-Amino-5-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 177377306
2-Amino-5-(3-chloro-phenyl)-thiazole-4-carboxylic acid
CID 49769213

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid (CID 177377304) is 2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid is Nc1nc(C(=O)O)c(CCc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is IBCKRAHHFOYQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c13-7-3-1-6(8(14)5-7)2-4-9-10(11(17)18)16-12(15)19-9/h1,3,5H,2,4H2,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid?
2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 317.20 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 177377304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).