[(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate

C11H14Cl2N2O4S — CID 7409327

IUPAC[(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESCC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCCOC
InChIInChI=1S/C11H14Cl2N2O4S/c1-3-6(10(16)14-4-5-18-2)19-11(17)8-7(12)9(13)20-15-8/h6H,3-5H2,1-2H3,(H,14,16)/t6-/m1/s1
InChIKeyDFTWKVXYZJNVSG-ZCFIWIBFSA-N
MW341.22 g/mol
LogP2.15
Rot. Bonds7

About [(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate

[(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate (PubChem CID 7409327) has the molecular formula C11H14Cl2N2O4S and a molecular weight of 341.22 g/mol. Its IUPAC name is [(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
PubChem CID7409327
Molecular FormulaC11H14Cl2N2O4S
Molecular Weight341.22 g/mol
Exact Mass340.01
IUPAC Name[(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESCC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCCOC
InChIInChI=1S/C11H14Cl2N2O4S/c1-3-6(10(16)14-4-5-18-2)19-11(17)8-7(12)9(13)20-15-8/h6H,3-5H2,1-2H3,(H,14,16)/t6-/m1/s1
InChIKeyDFTWKVXYZJNVSG-ZCFIWIBFSA-N
XLogP2.15
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-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

[(2S)-1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 7409280
[(2S)-1-(2-methylbutan-2-ylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 7409338
[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470315
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470289
[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 3220362
[1-(2-fluorophenyl)-2-oxo-2-(2-phenylethylamino)ethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 3220402
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914
(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
CID 118219628
sodium 4-[(4,5-dichloro-1,2-thiazole-3-carbonyl)amino]butanoate
CID 154722987
1-chloroethyl N-(2-methoxyethyl)carbamate
CID 150618578
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 8569640
4,5-dichloro-1,2-thiazole-3-carboxamide
CID 1207924

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The IUPAC name of [(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate (CID 7409327) is [(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate.
What is the SMILES notation for [(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The canonical SMILES for [(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate is CC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCCOC.
What is the InChIKey of [(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The InChIKey is DFTWKVXYZJNVSG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H14Cl2N2O4S/c1-3-6(10(16)14-4-5-18-2)19-11(17)8-7(12)9(13)20-15-8/h6H,3-5H2,1-2H3,(H,14,16)/t6-/m1/s1.
What are the key properties of [(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
[(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate has a molecular weight of 341.22 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 7409327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).