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-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide — IUPAC name, SMILES, InChIKey & properties

Name: 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-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

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-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(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;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 167612171) has the molecular formula C60H66N10O10S4 and a molecular weight of 1215.52 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;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name	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-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID	167612171
Molecular Formula	C60H66N10O10S4
Molecular Weight	1215.52 g/mol
Exact Mass	1214.38
IUPAC Name	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-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide
SMILES	CC1(C)Cc2cccc(OCC(=O)Nc3nccs3)c2O1.Cc1cnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1.Cc1csc(NC(=O)COc2cccc3c2NCCC3)n1.O=C(COc1cccc2c1NCCC2)Nc1nccs1
InChI	InChI=1S/C16H18N2O3S.C15H17N3O2S.C15H16N2O3S.C14H15N3O2S/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;1-10-9-21-15(17-10)18-13(19)8-20-12-6-2-4-11-5-3-7-16-14(11)12;1-15(2)8-10-4-3-5-11(13(10)20-15)19-9-12(18)17-14-16-6-7-21-14;18-12(17-14-16-7-8-20-14)9-19-11-5-1-3-10-4-2-6-15-13(10)11/h4-6,8H,7,9H2,1-3H3,(H,17,18,19);2,4,6,9,16H,3,5,7-8H2,1H3,(H,17,18,19);3-7H,8-9H2,1-2H3,(H,16,17,18);1,3,5,7-8,15H,2,4,6,9H2,(H,16,17,18)
InChIKey	LFEZVBHPNSGUAP-UHFFFAOYSA-N
XLogP	11.40
TPSA	247.40 Å²
H-Bond Donors	6
H-Bond Acceptors	20
Rotatable Bonds	16
Heavy Atoms	84
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1215.52
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Analyze 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-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide with MolForge

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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;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(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;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide (CID 167612171) is 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-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(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;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(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;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide is CC1(C)Cc2cccc(OCC(=O)Nc3nccs3)c2O1.Cc1cnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1.Cc1csc(NC(=O)COc2cccc3c2NCCC3)n1.O=C(COc1cccc2c1NCCC2)Nc1nccs1.

What is the InChIKey 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-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is LFEZVBHPNSGUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S.C15H17N3O2S.C15H16N2O3S.C14H15N3O2S/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;1-10-9-21-15(17-10)18-13(19)8-20-12-6-2-4-11-5-3-7-16-14(11)12;1-15(2)8-10-4-3-5-11(13(10)20-15)19-9-12(18)17-14-16-6-7-21-14;18-12(17-14-16-7-8-20-14)9-19-11-5-1-3-10-4-2-6-15-13(10)11/h4-6,8H,7,9H2,1-3H3,(H,17,18,19);2,4,6,9,16H,3,5,7-8H2,1H3,(H,17,18,19);3-7H,8-9H2,1-2H3,(H,16,17,18);1,3,5,7-8,15H,2,4,6,9H2,(H,16,17,18).

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-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide?

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;2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;2-(1,2,3,4-tetrahydroquinolin-8-yloxy)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 167612171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).