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

C15H10ClN3O2S — CID 70696962

IUPAC(3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESCOc1nc2sccn2c1/C=C1/C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C15H10ClN3O2S/c1-21-14-12(19-4-5-22-15(19)18-14)7-10-9-3-2-8(16)6-11(9)17-13(10)20/h2-7H,1H3,(H,17,20)/b10-7+
InChIKeyURNIJKLFCBUBME-JXMROGBWSA-N
MW331.78 g/mol
LogP3.55
Rot. Bonds2

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

(3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (PubChem CID 70696962) has the molecular formula C15H10ClN3O2S and a molecular weight of 331.78 g/mol. Its IUPAC name is (3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
PubChem CID70696962
Molecular FormulaC15H10ClN3O2S
Molecular Weight331.78 g/mol
Exact Mass331.02
IUPAC Name(3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESCOc1nc2sccn2c1/C=C1/C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C15H10ClN3O2S/c1-21-14-12(19-4-5-22-15(19)18-14)7-10-9-3-2-8(16)6-11(9)17-13(10)20/h2-7H,1H3,(H,17,20)/b10-7+
InChIKeyURNIJKLFCBUBME-JXMROGBWSA-N
XLogP3.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (CID 70696962) is (3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is COc1nc2sccn2c1/C=C1/C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of (3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The InChIKey is URNIJKLFCBUBME-JXMROGBWSA-N. The full InChI is InChI=1S/C15H10ClN3O2S/c1-21-14-12(19-4-5-22-15(19)18-14)7-10-9-3-2-8(16)6-11(9)17-13(10)20/h2-7H,1H3,(H,17,20)/b10-7+.
What are the key properties of (3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
(3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one has a molecular weight of 331.78 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-chloro-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 70696962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).