1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol

C19H14FNO2S — CID 46942964

IUPAC1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol
SMILESCC(O)(c1cccc(F)c1)c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C19H14FNO2S/c1-19(22,13-6-4-7-14(20)10-13)18-21-15(11-24-18)17-9-12-5-2-3-8-16(12)23-17/h2-11,22H,1H3
InChIKeyTVVBMPVJZYCYKF-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.95
Rot. Bonds3

About 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol

1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol (PubChem CID 46942964) has the molecular formula C19H14FNO2S and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol
PubChem CID46942964
Molecular FormulaC19H14FNO2S
Molecular Weight339.39 g/mol
Exact Mass339.07
IUPAC Name1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol
SMILESCC(O)(c1cccc(F)c1)c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C19H14FNO2S/c1-19(22,13-6-4-7-14(20)10-13)18-21-15(11-24-18)17-9-12-5-2-3-8-16(12)23-17/h2-11,22H,1H3
InChIKeyTVVBMPVJZYCYKF-UHFFFAOYSA-N
XLogP4.95
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

FR150011
CID 10159191
4-(1-Benzofuran-2-yl)-1,3-thiazol-2-amine
CID 2303676
(E)-3-Biphenyl-4-yl-2-(4-furan-2-yl-thiazol-2-yl)-acrylonitrile
CID 5913111
(E)-3-(4-Fluoro-phenyl)-2-(4-furan-2-yl-thiazol-2-yl)-acrylonitrile
CID 6053780
8-[2-(4-Carboxyphenyl)thiazol-4-yl]dibenzo[b,d]furan-4-carboxylic acid
CID 46933149
8-[2-(4-Iodophenyl)thiazol-4-yl]dibenzo[b,d]furan-4-carboxylic acid
CID 46933294
8-[2-(3-Iodophenyl)thiazol-4-yl]dibenzo[b,d]furan-4-carboxylic acid
CID 46933295
8-[2-[4-[(E)-2-carboxyethenyl]phenyl]-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid
CID 46933442
8-[2-[3-[(E)-2-carboxyethenyl]phenyl]-1,3-thiazol-4-yl]dibenzofuran-4-carboxylic acid
CID 46933443
[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethanol
CID 46943021
8-(2-Methylthiazol-4-yl)dibenzo[b,d]furan-4-carboxylic acid
CID 52940863
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 166631419

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol?
The IUPAC name of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol (CID 46942964) is 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol is CC(O)(c1cccc(F)c1)c1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol?
The InChIKey is TVVBMPVJZYCYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2S/c1-19(22,13-6-4-7-14(20)10-13)18-21-15(11-24-18)17-9-12-5-2-3-8-16(12)23-17/h2-11,22H,1H3.
What are the key properties of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol?
1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol has a molecular weight of 339.39 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 46942964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).