(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one

C16H13N3O2S — CID 5473341

IUPAC(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one
SMILESCc1cn2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(C)nc2s1
InChIInChI=1S/C16H13N3O2S/c1-8-7-19-14(9(2)17-16(19)22-8)6-12-11-5-10(20)3-4-13(11)18-15(12)21/h3-7,20H,1-2H3,(H,18,21)/b12-6+
InChIKeyCEQJVCWHFSILSW-WUXMJOGZSA-N
MW311.37 g/mol
LogP3.21
Rot. Bonds1

About (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one

(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one (PubChem CID 5473341) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one
PubChem CID5473341
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one
SMILESCc1cn2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(C)nc2s1
InChIInChI=1S/C16H13N3O2S/c1-8-7-19-14(9(2)17-16(19)22-8)6-12-11-5-10(20)3-4-13(11)18-15(12)21/h3-7,20H,1-2H3,(H,18,21)/b12-6+
InChIKeyCEQJVCWHFSILSW-WUXMJOGZSA-N
XLogP3.21
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 56963903
5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 70684410
N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide
CID 56649601
2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl)-propionylamino]-benzoic acid
CID 11617852
5-Methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one
CID 70692875
(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 155526721
(3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one
CID 155555561
(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1-methylindol-2-one
CID 5473340
(3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one
CID 25155312
(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1-methylindol-2-one
CID 25158938
(3E)-5-methoxy-1-methyl-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indol-2-one
CID 70686550
(3E)-5-hydroxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 155518252

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one (CID 5473341) is (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one is Cc1cn2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(C)nc2s1.
What is the InChIKey of (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one?
The InChIKey is CEQJVCWHFSILSW-WUXMJOGZSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-8-7-19-14(9(2)17-16(19)22-8)6-12-11-5-10(20)3-4-13(11)18-15(12)21/h3-7,20H,1-2H3,(H,18,21)/b12-6+.
What are the key properties of (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one?
(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one has a molecular weight of 311.37 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one is sourced from PubChem (CID 5473341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).