2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C16H18N2O3S — CID 2102526

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1
InChIInChI=1S/C16H18N2O3S/c1-10-8-17-15(22-10)18-13(19)9-20-12-6-4-5-11-7-16(2,3)21-14(11)12/h4-6,8H,7,9H2,1-3H3,(H,17,18,19)
InChIKeyRKPYXUIQMMCZBS-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.18
Rot. Bonds4

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2102526) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID2102526
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1
InChIInChI=1S/C16H18N2O3S/c1-10-8-17-15(22-10)18-13(19)9-20-12-6-4-5-11-7-16(2,3)21-14(11)12/h4-6,8H,7,9H2,1-3H3,(H,17,18,19)
InChIKeyRKPYXUIQMMCZBS-UHFFFAOYSA-N
XLogP3.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678077
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678142
2-((2,2-dimethyl-2,3-dihydrobenzofuran-7-yl)oxy)-N-(thiazol-2-yl)acetamide
CID 2095287
N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 1143610
N-[5-(3-methylbenzyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 2872966
N-(5-(4-methoxybenzyl)thiazol-2-yl)-2-(3-(trifluoromethyl)phenoxy)acetamide
CID 1113639
2-(2-methoxyphenoxy)-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}acetamide
CID 1143615
(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 5985171
N-[5-(4-methoxybenzyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 1113629
2-(2-Methoxyphenoxy)-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-YL}acetamide
CID 1113626
2-(2-Methylphenoxy)-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-YL}acetamide
CID 1153453
2-(m-tolyloxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)acetamide
CID 1177180

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 2102526) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is RKPYXUIQMMCZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-8-17-15(22-10)18-13(19)9-20-12-6-4-5-11-7-16(2,3)21-14(11)12/h4-6,8H,7,9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 318.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2102526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).