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

C15H10ClN3O2S — CID 5473336

IUPAC(3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one
SMILESCc1cn2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(Cl)nc2s1
InChIInChI=1S/C15H10ClN3O2S/c1-7-6-19-12(13(16)18-15(19)22-7)5-10-9-4-8(20)2-3-11(9)17-14(10)21/h2-6,20H,1H3,(H,17,21)/b10-5+
InChIKeyGHSMUEUWQPHYLS-BJMVGYQFSA-N
MW331.78 g/mol
LogP3.56
Rot. Bonds1

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

(3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one (PubChem CID 5473336) has the molecular formula C15H10ClN3O2S and a molecular weight of 331.78 g/mol. Its IUPAC name is (3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one
PubChem CID5473336
Molecular FormulaC15H10ClN3O2S
Molecular Weight331.78 g/mol
Exact Mass331.02
IUPAC Name(3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one
SMILESCc1cn2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(Cl)nc2s1
InChIInChI=1S/C15H10ClN3O2S/c1-7-6-19-12(13(16)18-15(19)22-7)5-10-9-4-8(20)2-3-11(9)17-14(10)21/h2-6,20H,1H3,(H,17,21)/b10-5+
InChIKeyGHSMUEUWQPHYLS-BJMVGYQFSA-N
XLogP3.56
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one?
The IUPAC name of (3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one (CID 5473336) is (3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(6-chloro-2-methylimidazo[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(Cl)nc2s1.
What is the InChIKey of (3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one?
The InChIKey is GHSMUEUWQPHYLS-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H10ClN3O2S/c1-7-6-19-12(13(16)18-15(19)22-7)5-10-9-4-8(20)2-3-11(9)17-14(10)21/h2-6,20H,1H3,(H,17,21)/b10-5+.
What are the key properties of (3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one?
(3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one has a molecular weight of 331.78 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one is sourced from PubChem (CID 5473336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).