1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

C14H12FNO2S — CID 114726469

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cc3cccc(F)c3o2)cs1
InChIInChI=1S/C14H12FNO2S/c1-8-16-10(7-19-8)6-12(17)13-5-9-3-2-4-11(15)14(9)18-13/h2-5,7,12,17H,6H2,1H3
InChIKeySISWCBBGOQYUCD-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.61
Rot. Bonds3

About 1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 114726469) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID114726469
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cc3cccc(F)c3o2)cs1
InChIInChI=1S/C14H12FNO2S/c1-8-16-10(7-19-8)6-12(17)13-5-9-3-2-4-11(15)14(9)18-13/h2-5,7,12,17H,6H2,1H3
InChIKeySISWCBBGOQYUCD-UHFFFAOYSA-N
XLogP3.61
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114726596
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976
[1-(7-fluoro-1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214352
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114727065
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106644
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 114726469) is 1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)c2cc3cccc(F)c3o2)cs1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is SISWCBBGOQYUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c1-8-16-10(7-19-8)6-12(17)13-5-9-3-2-4-11(15)14(9)18-13/h2-5,7,12,17H,6H2,1H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 277.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 114726469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).