3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

C22H21N3O3S — CID 7151293

IUPAC3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1OCC
InChIInChI=1S/C22H21N3O3S/c1-3-27-19-10-7-16(13-20(19)28-4-2)21(26)23-17-8-5-15(6-9-17)18-14-25-11-12-29-22(25)24-18/h5-14H,3-4H2,1-2H3,(H,23,26)
InChIKeyQJKWFPINBOZUKT-UHFFFAOYSA-N
MW407.50 g/mol
LogP5.11
Rot. Bonds7

About 3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (PubChem CID 7151293) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
PubChem CID7151293
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1OCC
InChIInChI=1S/C22H21N3O3S/c1-3-27-19-10-7-16(13-20(19)28-4-2)21(26)23-17-8-5-15(6-9-17)18-14-25-11-12-29-22(25)24-18/h5-14H,3-4H2,1-2H3,(H,23,26)
InChIKeyQJKWFPINBOZUKT-UHFFFAOYSA-N
XLogP5.11
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide 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 3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (CID 7151293) is 3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is CCOc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The InChIKey is QJKWFPINBOZUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-3-27-19-10-7-16(13-20(19)28-4-2)21(26)23-17-8-5-15(6-9-17)18-14-25-11-12-29-22(25)24-18/h5-14H,3-4H2,1-2H3,(H,23,26).
What are the key properties of 3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide has a molecular weight of 407.50 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is sourced from PubChem (CID 7151293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).