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

C12H12FNOS2 — CID 66071081

IUPAC1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(CSc2cccc(F)c2)n1
InChIInChI=1S/C12H12FNOS2/c1-8(15)11-6-17-12(14-11)7-16-10-4-2-3-9(13)5-10/h2-6,8,15H,7H2,1H3
InChIKeyOLTKTBVZEFWDIH-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.63
Rot. Bonds4

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

1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol (PubChem CID 66071081) has the molecular formula C12H12FNOS2 and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol
PubChem CID66071081
Molecular FormulaC12H12FNOS2
Molecular Weight269.37 g/mol
Exact Mass269.03
IUPAC Name1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(CSc2cccc(F)c2)n1
InChIInChI=1S/C12H12FNOS2/c1-8(15)11-6-17-12(14-11)7-16-10-4-2-3-9(13)5-10/h2-6,8,15H,7H2,1H3
InChIKeyOLTKTBVZEFWDIH-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol (CID 66071081) is 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(CSc2cccc(F)c2)n1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is OLTKTBVZEFWDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS2/c1-8(15)11-6-17-12(14-11)7-16-10-4-2-3-9(13)5-10/h2-6,8,15H,7H2,1H3.
What are the key properties of 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol?
1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 269.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 66071081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).