(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

C16H17N3O2S — CID 71699609

IUPAC(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1/c(=C/c2ccc(N3CCOCC3)cc2)sc2n1CCN=2
InChIInChI=1S/C16H17N3O2S/c20-15-14(22-16-17-5-6-19(15)16)11-12-1-3-13(4-2-12)18-7-9-21-10-8-18/h1-4,11H,5-10H2/b14-11-
InChIKeyOFUDZXBVOJSPFY-KAMYIIQDSA-N
MW315.40 g/mol
LogP0.21
Rot. Bonds2

About (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 71699609) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID71699609
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1/c(=C/c2ccc(N3CCOCC3)cc2)sc2n1CCN=2
InChIInChI=1S/C16H17N3O2S/c20-15-14(22-16-17-5-6-19(15)16)11-12-1-3-13(4-2-12)18-7-9-21-10-8-18/h1-4,11H,5-10H2/b14-11-
InChIKeyOFUDZXBVOJSPFY-KAMYIIQDSA-N
XLogP0.21
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (CID 71699609) is (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is O=c1/c(=C/c2ccc(N3CCOCC3)cc2)sc2n1CCN=2.
What is the InChIKey of (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is OFUDZXBVOJSPFY-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15-14(22-16-17-5-6-19(15)16)11-12-1-3-13(4-2-12)18-7-9-21-10-8-18/h1-4,11H,5-10H2/b14-11-.
What are the key properties of (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 315.40 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 71699609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).