1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

C14H12FNOS2 — CID 115812042

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cc3ccc(F)cc3s2)cs1
InChIInChI=1S/C14H12FNOS2/c1-8-16-11(7-18-8)6-12(17)14-4-9-2-3-10(15)5-13(9)19-14/h2-5,7,12,17H,6H2,1H3
InChIKeyLUPSQJSBGWCTBL-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.08
Rot. Bonds3

About 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 115812042) has the molecular formula C14H12FNOS2 and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID115812042
Molecular FormulaC14H12FNOS2
Molecular Weight293.39 g/mol
Exact Mass293.03
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cc3ccc(F)cc3s2)cs1
InChIInChI=1S/C14H12FNOS2/c1-8-16-11(7-18-8)6-12(17)14-4-9-2-3-10(15)5-13(9)19-14/h2-5,7,12,17H,6H2,1H3
InChIKeyLUPSQJSBGWCTBL-UHFFFAOYSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997058
1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812072
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol
CID 81104324
2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 81105961
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780349
1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62800032
1-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878
2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115785055

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 115812042) is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)c2cc3ccc(F)cc3s2)cs1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is LUPSQJSBGWCTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS2/c1-8-16-11(7-18-8)6-12(17)14-4-9-2-3-10(15)5-13(9)19-14/h2-5,7,12,17H,6H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 293.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 115812042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).