[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

C11H10ClN3O3S — CID 51916211

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
SMILESC[C@@H](OC(=O)/C=C/c1c(Cl)nc2sccn12)C(N)=O
InChIInChI=1S/C11H10ClN3O3S/c1-6(10(13)17)18-8(16)3-2-7-9(12)14-11-15(7)4-5-19-11/h2-6H,1H3,(H2,13,17)/b3-2+/t6-/m1/s1
InChIKeyIKJVTZVFGZKWRW-YRFDSLTASA-N
MW299.74 g/mol
LogP1.48
Rot. Bonds4

About [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate (PubChem CID 51916211) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
PubChem CID51916211
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
SMILESC[C@@H](OC(=O)/C=C/c1c(Cl)nc2sccn12)C(N)=O
InChIInChI=1S/C11H10ClN3O3S/c1-6(10(13)17)18-8(16)3-2-7-9(12)14-11-15(7)4-5-19-11/h2-6H,1H3,(H2,13,17)/b3-2+/t6-/m1/s1
InChIKeyIKJVTZVFGZKWRW-YRFDSLTASA-N
XLogP1.48
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate 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

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115409962
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
CID 47163397
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 60630731
(3-carbamoylphenyl) (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 87014064
(E)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 94187219
[2-(4-methylanilino)-2-oxoethyl] 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 76854583
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 8856869
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1-cyclopropylethyl)prop-2-enamide
CID 47113826
[4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 60528027
2-[[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]amino]acetic acid
CID 43354436
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylprop-2-enamide
CID 79291152
[(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 2358880

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate (CID 51916211) is [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate is C[C@@H](OC(=O)/C=C/c1c(Cl)nc2sccn12)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate?
The InChIKey is IKJVTZVFGZKWRW-YRFDSLTASA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c1-6(10(13)17)18-8(16)3-2-7-9(12)14-11-15(7)4-5-19-11/h2-6H,1H3,(H2,13,17)/b3-2+/t6-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate?
[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate has a molecular weight of 299.74 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate is sourced from PubChem (CID 51916211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).