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

C15H16N2O2S — CID 79363875

IUPAC1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCC1Cc2ccccc2O1
InChIInChI=1S/C15H16N2O2S/c1-9-14(10(2)18)15(20-17-9)16-8-12-7-11-5-3-4-6-13(11)19-12/h3-6,12,16H,7-8H2,1-2H3
InChIKeyVTVOBKUVEDHQDJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.07
Rot. Bonds4

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

1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79363875) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79363875
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCC1Cc2ccccc2O1
InChIInChI=1S/C15H16N2O2S/c1-9-14(10(2)18)15(20-17-9)16-8-12-7-11-5-3-4-6-13(11)19-12/h3-6,12,16H,7-8H2,1-2H3
InChIKeyVTVOBKUVEDHQDJ-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone with MolForge

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Related Compounds

methyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569197
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169646
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 102556261
5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 94096638
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid
CID 62710131
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579
4-acetyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenesulfonamide
CID 51114055
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid
CID 62233203
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
CID 62233383
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 62233384
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
CID 61311188

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79363875) is 1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCC1Cc2ccccc2O1.
What is the InChIKey of 1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is VTVOBKUVEDHQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-14(10(2)18)15(20-17-9)16-8-12-7-11-5-3-4-6-13(11)19-12/h3-6,12,16H,7-8H2,1-2H3.
What are the key properties of 1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 288.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79363875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).