2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide

C15H14N2O2S — CID 2237717

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3nccs3)coc2c1
InChIInChI=1S/C15H14N2O2S/c1-9-5-10(2)14-11(8-19-12(14)6-9)7-13(18)17-15-16-3-4-20-15/h3-6,8H,7H2,1-2H3,(H,16,17,18)
InChIKeyCTVIOMASKMTCSY-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.69
Rot. Bonds3

About 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2237717) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2237717
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3nccs3)coc2c1
InChIInChI=1S/C15H14N2O2S/c1-9-5-10(2)14-11(8-19-12(14)6-9)7-13(18)17-15-16-3-4-20-15/h3-6,8H,7H2,1-2H3,(H,16,17,18)
InChIKeyCTVIOMASKMTCSY-UHFFFAOYSA-N
XLogP3.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
5-fluoro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9508654
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-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2399629
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
3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 4750125

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 2237717) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide is Cc1cc(C)c2c(CC(=O)Nc3nccs3)coc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CTVIOMASKMTCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-9-5-10(2)14-11(8-19-12(14)6-9)7-13(18)17-15-16-3-4-20-15/h3-6,8H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 286.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2237717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).