2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate

C11H7Cl2N2O2S- — CID 9154802

IUPAC2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H8Cl2N2O2S/c12-6-1-7(13)3-8(2-6)14-11-15-9(5-18-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)/p-1
InChIKeyNCOJLVAZZSOBPA-UHFFFAOYSA-M
MW302.16 g/mol
LogP2.49
Rot. Bonds4

About 2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate

2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 9154802) has the molecular formula C11H7Cl2N2O2S- and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate
PubChem CID9154802
Molecular FormulaC11H7Cl2N2O2S-
Molecular Weight302.16 g/mol
Exact Mass300.96
IUPAC Name2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H8Cl2N2O2S/c12-6-1-7(13)3-8(2-6)14-11-15-9(5-18-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)/p-1
InChIKeyNCOJLVAZZSOBPA-UHFFFAOYSA-M
XLogP2.49
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate 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

4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 82179811
2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 9154786
2-[2-[2-(2,4,6-trichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate
CID 9155901
methyl 2-[2-(2,4,6-trichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80574111
2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate
CID 9155837
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide
CID 30942110
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone
CID 30941985
N-(3-chlorophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942363
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide
CID 27377986
2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 75176643
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate (CID 9154802) is 2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate is O=C([O-])Cc1csc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is NCOJLVAZZSOBPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8Cl2N2O2S/c12-6-1-7(13)3-8(2-6)14-11-15-9(5-18-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)/p-1.
What are the key properties of 2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate?
2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 302.16 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9154802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).