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

C13H12N2O2S — CID 851054

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
SMILESCOc1ccc(/C=C2/C(=O)N=C3SCCN32)cc1
InChIInChI=1S/C13H12N2O2S/c1-17-10-4-2-9(3-5-10)8-11-12(16)14-13-15(11)6-7-18-13/h2-5,8H,6-7H2,1H3/b11-8-
InChIKeyMVOLPCRXKNAGJW-FLIBITNWSA-N
MW260.32 g/mol
LogP1.98
Rot. Bonds2

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

(5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one (PubChem CID 851054) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
PubChem CID851054
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
SMILESCOc1ccc(/C=C2/C(=O)N=C3SCCN32)cc1
InChIInChI=1S/C13H12N2O2S/c1-17-10-4-2-9(3-5-10)8-11-12(16)14-13-15(11)6-7-18-13/h2-5,8H,6-7H2,1H3/b11-8-
InChIKeyMVOLPCRXKNAGJW-FLIBITNWSA-N
XLogP1.98
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one (CID 851054) is (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one is COc1ccc(/C=C2/C(=O)N=C3SCCN32)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
The InChIKey is MVOLPCRXKNAGJW-FLIBITNWSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-17-10-4-2-9(3-5-10)8-11-12(16)14-13-15(11)6-7-18-13/h2-5,8H,6-7H2,1H3/b11-8-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one has a molecular weight of 260.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one is sourced from PubChem (CID 851054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).