3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one

C17H15N3O2S — CID 155554087

IUPAC3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one
SMILESCOc1nc2sc(C)cn2c1C=C1C(=O)N(C)c2ccccc21
InChIInChI=1S/C17H15N3O2S/c1-10-9-20-14(15(22-3)18-17(20)23-10)8-12-11-6-4-5-7-13(11)19(2)16(12)21/h4-9H,1-3H3
InChIKeyVXKAFFWETKBDPG-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.23
Rot. Bonds2

About 3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one

3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one (PubChem CID 155554087) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one.

Molecular Properties

Compound Name3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one
PubChem CID155554087
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one
SMILESCOc1nc2sc(C)cn2c1C=C1C(=O)N(C)c2ccccc21
InChIInChI=1S/C17H15N3O2S/c1-10-9-20-14(15(22-3)18-17(20)23-10)8-12-11-6-4-5-7-13(11)19(2)16(12)21/h4-9H,1-3H3
InChIKeyVXKAFFWETKBDPG-UHFFFAOYSA-N
XLogP3.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one?
The IUPAC name of 3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one (CID 155554087) is 3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one.
What is the SMILES notation for 3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one?
The canonical SMILES for 3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one is COc1nc2sc(C)cn2c1C=C1C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one?
The InChIKey is VXKAFFWETKBDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-10-9-20-14(15(22-3)18-17(20)23-10)8-12-11-6-4-5-7-13(11)19(2)16(12)21/h4-9H,1-3H3.
What are the key properties of 3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one?
3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one has a molecular weight of 325.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one is sourced from PubChem (CID 155554087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).