ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate

C21H24Cl2N2O3S — CID 46221804

IUPACethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C21H24Cl2N2O3S/c1-2-28-19(26)11-15-12-29-21(24-15)25-20(27)16(9-13-5-3-4-6-13)14-7-8-17(22)18(23)10-14/h7-8,10,12-13,16H,2-6,9,11H2,1H3,(H,24,25,27)
InChIKeyMLKRLDYABJPSAM-UHFFFAOYSA-N
MW455.41 g/mol
LogP5.86
Rot. Bonds8

About ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 46221804) has the molecular formula C21H24Cl2N2O3S and a molecular weight of 455.41 g/mol. Its IUPAC name is ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID46221804
Molecular FormulaC21H24Cl2N2O3S
Molecular Weight455.41 g/mol
Exact Mass454.09
IUPAC Nameethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C21H24Cl2N2O3S/c1-2-28-19(26)11-15-12-29-21(24-15)25-20(27)16(9-13-5-3-4-6-13)14-7-8-17(22)18(23)10-14/h7-8,10,12-13,16H,2-6,9,11H2,1H3,(H,24,25,27)
InChIKeyMLKRLDYABJPSAM-UHFFFAOYSA-N
XLogP5.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.41
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-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

Ethyl (2-{[(4-methylphenyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 3152628
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-[4-(2-hydroxyethyl)-thiazol-2-yl]-propionamide
CID 9801831
{2-[3-Cyclopentyl-2-(3,4-dichlorophenyl)-propionylamino]-thiazol-4-yl}-acetic acid methyl ester
CID 9932967
Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 20707095
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-(4-hydroxymethyl-thiazol-2-yl)-propionamide
CID 22315087
Ethyl [2-({[(4-chlorobenzoyl)amino]carbonothioyl}amino)-1,3-thiazol-4-yl]acetate
CID 1322118
Ethyl 2-[2-(2-phenylacetamido)-1,3-thiazol-4-yl]acetate
CID 702939
[2-(3-Phenyl-propionylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 702951
Ethyl {2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl}acetate
CID 703563
Ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746
{2-[3-Cyclopentyl-2-(3,4-dichlorophenyl)-propionylamino]-thiazol-4-yl}-acetic acid
CID 9954241
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 22315184

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate (CID 46221804) is ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)C(CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is MLKRLDYABJPSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3S/c1-2-28-19(26)11-15-12-29-21(24-15)25-20(27)16(9-13-5-3-4-6-13)14-7-8-17(22)18(23)10-14/h7-8,10,12-13,16H,2-6,9,11H2,1H3,(H,24,25,27).
What are the key properties of ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 455.41 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 46221804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).