[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C23H21N3O4S — CID 41384630

IUPAC[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](OC(=O)Cc1cn2ccsc2n1)c1ccccc1
InChIInChI=1S/C23H21N3O4S/c1-15-8-9-19(29-2)18(12-15)25-22(28)21(16-6-4-3-5-7-16)30-20(27)13-17-14-26-10-11-31-23(26)24-17/h3-12,14,21H,13H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyXDBJLOJMLFAIHB-NRFANRHFSA-N
MW435.51 g/mol
LogP4.18
Rot. Bonds7

About [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 41384630) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID41384630
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](OC(=O)Cc1cn2ccsc2n1)c1ccccc1
InChIInChI=1S/C23H21N3O4S/c1-15-8-9-19(29-2)18(12-15)25-22(28)21(16-6-4-3-5-7-16)30-20(27)13-17-14-26-10-11-31-23(26)24-17/h3-12,14,21H,13H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyXDBJLOJMLFAIHB-NRFANRHFSA-N
XLogP4.18
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate
CID 7765424
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
CID 7950653
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063477
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722308
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate
CID 18276877
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 2507805
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853368
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methyl-2-phenylpropanoate
CID 7984559
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065629
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 55393089

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 41384630) is [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)Cc1cn2ccsc2n1)c1ccccc1.
What is the InChIKey of [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is XDBJLOJMLFAIHB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-15-8-9-19(29-2)18(12-15)25-22(28)21(16-6-4-3-5-7-16)30-20(27)13-17-14-26-10-11-31-23(26)24-17/h3-12,14,21H,13H2,1-2H3,(H,25,28)/t21-/m0/s1.
What are the key properties of [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 435.51 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 41384630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).