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

C14H14N2O3S — CID 809117

IUPAC(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1OC
InChIInChI=1S/C14H14N2O3S/c1-18-10-4-3-9(7-11(10)19-2)8-12-13(17)16-6-5-15-14(16)20-12/h3-4,7-8H,5-6H2,1-2H3/b12-8-
InChIKeyFDKWREJSQHHSDF-WQLSENKSSA-N
MW290.34 g/mol
LogP0.39
Rot. Bonds3

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

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 809117) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID809117
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1OC
InChIInChI=1S/C14H14N2O3S/c1-18-10-4-3-9(7-11(10)19-2)8-12-13(17)16-6-5-15-14(16)20-12/h3-4,7-8H,5-6H2,1-2H3/b12-8-
InChIKeyFDKWREJSQHHSDF-WQLSENKSSA-N
XLogP0.39
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (CID 809117) is (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is COc1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1OC.
What is the InChIKey of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is FDKWREJSQHHSDF-WQLSENKSSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-18-10-4-3-9(7-11(10)19-2)8-12-13(17)16-6-5-15-14(16)20-12/h3-4,7-8H,5-6H2,1-2H3/b12-8-.
What are the key properties of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 290.34 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 809117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).