(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol

C11H11FN2OS3 — CID 113298870

IUPAC(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCSc1nnc(Sc2ccc(F)cc2[C@H](C)O)s1
InChIInChI=1S/C11H11FN2OS3/c1-6(15)8-5-7(12)3-4-9(8)17-11-14-13-10(16-2)18-11/h3-6,15H,1-2H3/t6-/m0/s1
InChIKeyVHMYSHIHYORWBT-LURJTMIESA-N
MW302.42 g/mol
LogP3.60
Rot. Bonds4

About (1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol

(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol (PubChem CID 113298870) has the molecular formula C11H11FN2OS3 and a molecular weight of 302.42 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
PubChem CID113298870
Molecular FormulaC11H11FN2OS3
Molecular Weight302.42 g/mol
Exact Mass302.00
IUPAC Name(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCSc1nnc(Sc2ccc(F)cc2[C@H](C)O)s1
InChIInChI=1S/C11H11FN2OS3/c1-6(15)8-5-7(12)3-4-9(8)17-11-14-13-10(16-2)18-11/h3-6,15H,1-2H3/t6-/m0/s1
InChIKeyVHMYSHIHYORWBT-LURJTMIESA-N
XLogP3.60
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone
CID 115280290
1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanol
CID 63835700
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
(1S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]ethanol
CID 63813808
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
1-[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
CID 60877704
5-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55243373
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
N-[[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 115383921
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 63834992
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol (CID 113298870) is (1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol is CSc1nnc(Sc2ccc(F)cc2[C@H](C)O)s1.
What is the InChIKey of (1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol?
The InChIKey is VHMYSHIHYORWBT-LURJTMIESA-N. The full InChI is InChI=1S/C11H11FN2OS3/c1-6(15)8-5-7(12)3-4-9(8)17-11-14-13-10(16-2)18-11/h3-6,15H,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol?
(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol has a molecular weight of 302.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol is sourced from PubChem (CID 113298870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).