1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone

C16H17NO3S — CID 62653896

IUPAC1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone
SMILESCCOc1cc2c(cc1-c1ncc(C(C)=O)s1)OC(C)C2
InChIInChI=1S/C16H17NO3S/c1-4-19-14-6-11-5-9(2)20-13(11)7-12(14)16-17-8-15(21-16)10(3)18/h6-9H,4-5H2,1-3H3
InChIKeyRIQJCSZCXMBIQH-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.73
Rot. Bonds4

About 1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone

1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 62653896) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID62653896
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone
SMILESCCOc1cc2c(cc1-c1ncc(C(C)=O)s1)OC(C)C2
InChIInChI=1S/C16H17NO3S/c1-4-19-14-6-11-5-9(2)20-13(11)7-12(14)16-17-8-15(21-16)10(3)18/h6-9H,4-5H2,1-3H3
InChIKeyRIQJCSZCXMBIQH-UHFFFAOYSA-N
XLogP3.73
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate
CID 115349493
2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid
CID 43322539
4-(chloromethyl)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole
CID 43322645
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317
2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-iodo-1H-pyrimidin-6-one
CID 66313740
2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide
CID 86891353
2-amino-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 24695376
3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylprop-2-enoic acid
CID 79727133
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylimidazole-1,5-diamine
CID 62482979
cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid
CID 51888079
1-[4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperazin-1-yl]ethanone
CID 95348368

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone (CID 62653896) is 1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone is CCOc1cc2c(cc1-c1ncc(C(C)=O)s1)OC(C)C2.
What is the InChIKey of 1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is RIQJCSZCXMBIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-4-19-14-6-11-5-9(2)20-13(11)7-12(14)16-17-8-15(21-16)10(3)18/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone?
1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 303.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62653896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).