1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane

C15H17NO2S — CID 143027008

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane
SMILESCC.CC(=O)c1cnc(-c2ccc3c(c2)CCO3)s1
InChIInChI=1S/C13H11NO2S.C2H6/c1-8(15)12-7-14-13(17-12)10-2-3-11-9(6-10)4-5-16-11;1-2/h2-3,6-7H,4-5H2,1H3;1-2H3
InChIKeyUHGGLCCKAKWTBQ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.97
Rot. Bonds2

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane

1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane (PubChem CID 143027008) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane
PubChem CID143027008
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane
SMILESCC.CC(=O)c1cnc(-c2ccc3c(c2)CCO3)s1
InChIInChI=1S/C13H11NO2S.C2H6/c1-8(15)12-7-14-13(17-12)10-2-3-11-9(6-10)4-5-16-11;1-2/h2-3,6-7H,4-5H2,1H3;1-2H3
InChIKeyUHGGLCCKAKWTBQ-UHFFFAOYSA-N
XLogP3.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-5-yl]ethanone
CID 55102198
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]ethanone
CID 126770186
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653372
N-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61281176
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
methyl 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]sulfamoylmethyl]benzoate
CID 166331691
1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652441
1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 115568074
5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid
CID 79997151
4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
CID 81287575
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890568
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886209

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane (CID 143027008) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane is CC.CC(=O)c1cnc(-c2ccc3c(c2)CCO3)s1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane?
The InChIKey is UHGGLCCKAKWTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S.C2H6/c1-8(15)12-7-14-13(17-12)10-2-3-11-9(6-10)4-5-16-11;1-2/h2-3,6-7H,4-5H2,1H3;1-2H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane has a molecular weight of 275.37 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane is sourced from PubChem (CID 143027008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).