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

C17H20N2O3S — CID 6528577

IUPAC(2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESCCCCOc1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1OC
InChIInChI=1S/C17H20N2O3S/c1-3-4-9-22-13-6-5-12(10-14(13)21-2)11-15-16(20)19-8-7-18-17(19)23-15/h5-6,10-11H,3-4,7-9H2,1-2H3/b15-11-
InChIKeyMGODFNHJSQXEOJ-PTNGSMBKSA-N
MW332.43 g/mol
LogP1.56
Rot. Bonds6

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

(2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 6528577) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID6528577
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESCCCCOc1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1OC
InChIInChI=1S/C17H20N2O3S/c1-3-4-9-22-13-6-5-12(10-14(13)21-2)11-15-16(20)19-8-7-18-17(19)23-15/h5-6,10-11H,3-4,7-9H2,1-2H3/b15-11-
InChIKeyMGODFNHJSQXEOJ-PTNGSMBKSA-N
XLogP1.56
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 809117
(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 6513009
(2E)-2-[(2,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 760695
(2E)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 6384927
N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide
CID 1208504
5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3258706
methyl (2Z)-5-(4-butoxy-3-methoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6168350
methyl (2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6536376
(2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 762107
N-(4-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide
CID 5453036
5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3745874
(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(4-prop-2-enoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6533215

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (CID 6528577) is (2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is CCCCOc1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1OC.
What is the InChIKey of (2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is MGODFNHJSQXEOJ-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-4-9-22-13-6-5-12(10-14(13)21-2)11-15-16(20)19-8-7-18-17(19)23-15/h5-6,10-11H,3-4,7-9H2,1-2H3/b15-11-.
What are the key properties of (2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 332.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 6528577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).