3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

C17H16N4O3S — CID 168558080

IUPAC3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2cccc(-c3cn4c(n3)SCC4)c2)C(=O)N1CCO
InChIInChI=1S/C17H16N4O3S/c22-6-4-21-15(23)9-13(16(21)24)18-12-3-1-2-11(8-12)14-10-20-5-7-25-17(20)19-14/h1-3,8-10,18,22H,4-7H2
InChIKeyPZGYLKFPKPLLEN-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.31
Rot. Bonds5

About 3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168558080) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168558080
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2cccc(-c3cn4c(n3)SCC4)c2)C(=O)N1CCO
InChIInChI=1S/C17H16N4O3S/c22-6-4-21-15(23)9-13(16(21)24)18-12-3-1-2-11(8-12)14-10-20-5-7-25-17(20)19-14/h1-3,8-10,18,22H,4-7H2
InChIKeyPZGYLKFPKPLLEN-UHFFFAOYSA-N
XLogP1.31
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione
CID 168557338
1-(2-hydroxyethyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)anilino]pyrrole-2,5-dione
CID 168557915
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxyacetamide
CID 40506262
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
CID 40506211
3-[3-(4-bromo-1-methylpyrazol-5-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556877
1-(2-hydroxyethyl)-3-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)anilino]pyrrole-2,5-dione
CID 168557973
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 121031113
3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556942
2-(3-bromophenyl)-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 40506227
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propanamide
CID 75271275
4-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
CID 168557490
1-(2-hydroxyethyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]pyrrole-2,5-dione
CID 168557966

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168558080) is 3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is O=C1C=C(Nc2cccc(-c3cn4c(n3)SCC4)c2)C(=O)N1CCO.
What is the InChIKey of 3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is PZGYLKFPKPLLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c22-6-4-21-15(23)9-13(16(21)24)18-12-3-1-2-11(8-12)14-10-20-5-7-25-17(20)19-14/h1-3,8-10,18,22H,4-7H2.
What are the key properties of 3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 356.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168558080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).