N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide

C20H16N2O4S — CID 2815843

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1csc(-c2cccc3c2CCO3)n1
InChIInChI=1S/C20H16N2O4S/c23-19(21-12-4-5-17-18(10-12)26-9-8-25-17)15-11-27-20(22-15)14-2-1-3-16-13(14)6-7-24-16/h1-5,10-11H,6-9H2,(H,21,23)
InChIKeyFECJOFZLWHGNFF-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.77
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 2815843) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID2815843
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1csc(-c2cccc3c2CCO3)n1
InChIInChI=1S/C20H16N2O4S/c23-19(21-12-4-5-17-18(10-12)26-9-8-25-17)15-11-27-20(22-15)14-2-1-3-16-13(14)6-7-24-16/h1-5,10-11H,6-9H2,(H,21,23)
InChIKeyFECJOFZLWHGNFF-UHFFFAOYSA-N
XLogP3.77
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide (CID 2815843) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1csc(-c2cccc3c2CCO3)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FECJOFZLWHGNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-19(21-12-4-5-17-18(10-12)26-9-8-25-17)15-11-27-20(22-15)14-2-1-3-16-13(14)6-7-24-16/h1-5,10-11H,6-9H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dihydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2815843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).