N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C20H15N3O3S — CID 2998544

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1COc2ccccc2O1
InChIInChI=1S/C20H15N3O3S/c24-19(18-12-25-16-3-1-2-4-17(16)26-18)21-14-7-5-13(6-8-14)15-11-23-9-10-27-20(23)22-15/h1-11,18H,12H2,(H,21,24)
InChIKeyXQZXIXWNLSMLER-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.84
Rot. Bonds3

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2998544) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2998544
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1COc2ccccc2O1
InChIInChI=1S/C20H15N3O3S/c24-19(18-12-25-16-3-1-2-4-17(16)26-18)21-14-7-5-13(6-8-14)15-11-23-9-10-27-20(23)22-15/h1-11,18H,12H2,(H,21,24)
InChIKeyXQZXIXWNLSMLER-UHFFFAOYSA-N
XLogP3.84
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide 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 N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2998544) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1COc2ccccc2O1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is XQZXIXWNLSMLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-19(18-12-25-16-3-1-2-4-17(16)26-18)21-14-7-5-13(6-8-14)15-11-23-9-10-27-20(23)22-15/h1-11,18H,12H2,(H,21,24).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2998544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).