(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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Related Compounds

(3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 5471421
(3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one
CID 24950374
(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one
CID 155538657
CID 73212810
CID 73212810
(3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 11195503
3-[(4-amino-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-chloro-1H-indol-2-one
CID 123202625
3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-5-hydroxy-1H-indol-2-one
CID 123408589
5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one
CID 5027354
3-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]propanoic acid
CID 54489209
2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine
CID 57274644
(3E)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 5353977
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-hydroxy-1H-indol-2-one
CID 16725932

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).