ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate

C14H12Cl2N2O5S2 — CID 10137087

IUPACethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1csc(NS(=O)(=O)c2c(C)cc(Cl)cc2Cl)n1
InChIInChI=1S/C14H12Cl2N2O5S2/c1-3-23-13(20)11(19)10-6-24-14(17-10)18-25(21,22)12-7(2)4-8(15)5-9(12)16/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyCQCXDXXEKHBZCA-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.30
Rot. Bonds6

About ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate

ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate (PubChem CID 10137087) has the molecular formula C14H12Cl2N2O5S2 and a molecular weight of 423.30 g/mol. Its IUPAC name is ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate
PubChem CID10137087
Molecular FormulaC14H12Cl2N2O5S2
Molecular Weight423.30 g/mol
Exact Mass421.96
IUPAC Nameethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1csc(NS(=O)(=O)c2c(C)cc(Cl)cc2Cl)n1
InChIInChI=1S/C14H12Cl2N2O5S2/c1-3-23-13(20)11(19)10-6-24-14(17-10)18-25(21,22)12-7(2)4-8(15)5-9(12)16/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyCQCXDXXEKHBZCA-UHFFFAOYSA-N
XLogP3.30
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate 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-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetic acid
CID 87546058
ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate
CID 138673871
ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 15053496
2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide
CID 22028001
2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide
CID 10138882
2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 87545701
N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide
CID 10200568
ethyl 2-[2-[(3-chlorophenyl)sulfanylcarbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 23047576
ethyl 2-[2-[(2,6-dimethylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 15053505
ethyl 2-[2-(2-methylbutan-2-yloxycarbonylamino)-1,3-thiazol-4-yl]-2-oxoacetate
CID 19978748
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3-thiazole-4-carboxylate
CID 51108617
ethyl 2-oxo-2-(2,4,6-trichlorophenyl)acetate
CID 105349729

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate (CID 10137087) is ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate is CCOC(=O)C(=O)c1csc(NS(=O)(=O)c2c(C)cc(Cl)cc2Cl)n1.
What is the InChIKey of ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate?
The InChIKey is CQCXDXXEKHBZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O5S2/c1-3-23-13(20)11(19)10-6-24-14(17-10)18-25(21,22)12-7(2)4-8(15)5-9(12)16/h4-6H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate?
ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate has a molecular weight of 423.30 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate is sourced from PubChem (CID 10137087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).