2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide

C17H17N3O2S2 — CID 144760922

IUPAC2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCC1CN=C(NC(=O)Cc2csc(-c3ccc4c(c3)CCO4)n2)S1
InChIInChI=1S/C17H17N3O2S2/c1-10-8-18-17(24-10)20-15(21)7-13-9-23-16(19-13)12-2-3-14-11(6-12)4-5-22-14/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,18,20,21)
InChIKeyMDVUZFALAFOZDW-UHFFFAOYSA-N
MW359.48 g/mol
LogP2.89
Rot. Bonds3

About 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide

2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide (PubChem CID 144760922) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
PubChem CID144760922
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCC1CN=C(NC(=O)Cc2csc(-c3ccc4c(c3)CCO4)n2)S1
InChIInChI=1S/C17H17N3O2S2/c1-10-8-18-17(24-10)20-15(21)7-13-9-23-16(19-13)12-2-3-14-11(6-12)4-5-22-14/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,18,20,21)
InChIKeyMDVUZFALAFOZDW-UHFFFAOYSA-N
XLogP2.89
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide 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 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide (CID 144760922) is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide is CC1CN=C(NC(=O)Cc2csc(-c3ccc4c(c3)CCO4)n2)S1.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The InChIKey is MDVUZFALAFOZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-10-8-18-17(24-10)20-15(21)7-13-9-23-16(19-13)12-2-3-14-11(6-12)4-5-22-14/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,18,20,21).
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide has a molecular weight of 359.48 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 144760922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).