(2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one

C19H13BrN2O3S — CID 144572591

IUPAC(2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one
SMILESCc1ccc(-c2cn3c(=O)/c(=C/c4cc(O)c(O)c(Br)c4)sc3n2)cc1
InChIInChI=1S/C19H13BrN2O3S/c1-10-2-4-12(5-3-10)14-9-22-18(25)16(26-19(22)21-14)8-11-6-13(20)17(24)15(23)7-11/h2-9,23-24H,1H3/b16-8-
InChIKeyFZRCSNARNIPQNS-PXNMLYILSA-N
MW429.30 g/mol
LogP3.45
Rot. Bonds2

About (2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one

(2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 144572591) has the molecular formula C19H13BrN2O3S and a molecular weight of 429.30 g/mol. Its IUPAC name is (2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one
PubChem CID144572591
Molecular FormulaC19H13BrN2O3S
Molecular Weight429.30 g/mol
Exact Mass427.98
IUPAC Name(2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one
SMILESCc1ccc(-c2cn3c(=O)/c(=C/c4cc(O)c(O)c(Br)c4)sc3n2)cc1
InChIInChI=1S/C19H13BrN2O3S/c1-10-2-4-12(5-3-10)14-9-22-18(25)16(26-19(22)21-14)8-11-6-13(20)17(24)15(23)7-11/h2-9,23-24H,1H3/b16-8-
InChIKeyFZRCSNARNIPQNS-PXNMLYILSA-N
XLogP3.45
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-(2,6-dimethyl-4-pyridinyl)imidazo[2,1-b][1,3]thiazol-3-one
CID 123175285
(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-3-one
CID 118115577
6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
CID 123247235
(2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
CID 73296806
(2Z)-6-[4-(3-fluoroazetidine-1-carbonyl)phenyl]-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
CID 118115423
3-bromo-5-[[4-methylidene-2-(4-methylphenyl)-1,3-thiazol-5-ylidene]methyl]benzene-1,2-diol
CID 123761697
4-[(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]benzoic acid
CID 73295907
6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one
CID 123322197
(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one
CID 118115259
2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one
CID 123455015
2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(4-fluoropiperidine-1-carbonyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
CID 123833387
(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
CID 73295739

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one (CID 144572591) is (2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one is Cc1ccc(-c2cn3c(=O)/c(=C/c4cc(O)c(O)c(Br)c4)sc3n2)cc1.
What is the InChIKey of (2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is FZRCSNARNIPQNS-PXNMLYILSA-N. The full InChI is InChI=1S/C19H13BrN2O3S/c1-10-2-4-12(5-3-10)14-9-22-18(25)16(26-19(22)21-14)8-11-6-13(20)17(24)15(23)7-11/h2-9,23-24H,1H3/b16-8-.
What are the key properties of (2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 429.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 144572591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).