(1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol

C15H12FNOS2 — CID 63813808

IUPAC(1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Sc1nc2ccccc2s1
InChIInChI=1S/C15H12FNOS2/c1-9(18)11-8-10(16)6-7-13(11)19-15-17-12-4-2-3-5-14(12)20-15/h2-9,18H,1H3/t9-/m0/s1
InChIKeyIGZIDLZEAMYSBI-VIFPVBQESA-N
MW305.40 g/mol
LogP4.64
Rot. Bonds3

About (1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol

(1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol (PubChem CID 63813808) has the molecular formula C15H12FNOS2 and a molecular weight of 305.40 g/mol. Its IUPAC name is (1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol
PubChem CID63813808
Molecular FormulaC15H12FNOS2
Molecular Weight305.40 g/mol
Exact Mass305.03
IUPAC Name(1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Sc1nc2ccccc2s1
InChIInChI=1S/C15H12FNOS2/c1-9(18)11-8-10(16)6-7-13(11)19-15-17-12-4-2-3-5-14(12)20-15/h2-9,18H,1H3/t9-/m0/s1
InChIKeyIGZIDLZEAMYSBI-VIFPVBQESA-N
XLogP4.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-bromophenyl]ethanol
CID 82973200
(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
CID 113298870
1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine
CID 43189263
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol
CID 63814574
1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol
CID 63835700
1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-3-(4-fluorophenyl)urea
CID 163364546
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739
2-[4-methyl-2-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole
CID 58990212
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
CID 7756911
2-(1,3-benzothiazol-2-ylsulfanyl)naphthalene-1,4-diol
CID 15141994

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol (CID 63813808) is (1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol is C[C@H](O)c1cc(F)ccc1Sc1nc2ccccc2s1.
What is the InChIKey of (1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol?
The InChIKey is IGZIDLZEAMYSBI-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12FNOS2/c1-9(18)11-8-10(16)6-7-13(11)19-15-17-12-4-2-3-5-14(12)20-15/h2-9,18H,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol?
(1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol has a molecular weight of 305.40 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol is sourced from PubChem (CID 63813808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).