2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide

C17H18N2O2S — CID 2399629

IUPAC2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3nccs3)c2cc1C(C)C
InChIInChI=1S/C17H18N2O2S/c1-10(2)13-8-14-12(9-21-15(14)6-11(13)3)7-16(20)19-17-18-4-5-22-17/h4-6,8-10H,7H2,1-3H3,(H,18,19,20)
InChIKeyIUAGXTIMIFSBBC-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.50
Rot. Bonds4

About 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2399629) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2399629
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3nccs3)c2cc1C(C)C
InChIInChI=1S/C17H18N2O2S/c1-10(2)13-8-14-12(9-21-15(14)6-11(13)3)7-16(20)19-17-18-4-5-22-17/h4-6,8-10H,7H2,1-3H3,(H,18,19,20)
InChIKeyIUAGXTIMIFSBBC-UHFFFAOYSA-N
XLogP4.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(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

Related Compounds

5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2440876
2-(6-methoxy-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 5139052
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2536951
2-(6-methoxy-1-benzofuran-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2547406
5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2679217
2-(5H,6H,7H-indeno(5,6-b)furan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2501755
2-naphtho[2,1-b]furan-1-yl-N-1,3-thiazol-2-ylacetamide
CID 2129759
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-1,3-thiazol-2-ylacetamide
CID 2237717
N-[5-(1-benzofuran-7-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 145969726
N-[5-(1-benzofuran-7-ylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 145987036
3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 3155704
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2679202

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 2399629) is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide is Cc1cc2occ(CC(=O)Nc3nccs3)c2cc1C(C)C.
What is the InChIKey of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is IUAGXTIMIFSBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-10(2)13-8-14-12(9-21-15(14)6-11(13)3)7-16(20)19-17-18-4-5-22-17/h4-6,8-10H,7H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2399629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).