(1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol

C10H9FN2OS2 — CID 63812644

IUPAC(1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2nncs2)c(F)c1
InChIInChI=1S/C10H9FN2OS2/c1-6(14)7-2-3-9(8(11)4-7)16-10-13-12-5-15-10/h2-6,14H,1H3/t6-/m1/s1
InChIKeyZOMQFUUCPXOFQZ-ZCFIWIBFSA-N
MW256.33 g/mol
LogP2.88
Rot. Bonds3

About (1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol

(1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol (PubChem CID 63812644) has the molecular formula C10H9FN2OS2 and a molecular weight of 256.33 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
PubChem CID63812644
Molecular FormulaC10H9FN2OS2
Molecular Weight256.33 g/mol
Exact Mass256.01
IUPAC Name(1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2nncs2)c(F)c1
InChIInChI=1S/C10H9FN2OS2/c1-6(14)7-2-3-9(8(11)4-7)16-10-13-12-5-15-10/h2-6,14H,1H3/t6-/m1/s1
InChIKeyZOMQFUUCPXOFQZ-ZCFIWIBFSA-N
XLogP2.88
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)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

(1R)-1-[3-nitro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 55238144
1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 63813408
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 63814151
N-[[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63806004
1-[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63813564
(1S)-1-[4-(3,4-dimethylphenyl)sulfanyl-3-fluorophenyl]ethanol
CID 55240041
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol
CID 63835439
(1R)-1-[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 113431911
(1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol
CID 83128395
(1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol
CID 78952025
1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63806022

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol (CID 63812644) is (1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol is C[C@@H](O)c1ccc(Sc2nncs2)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol?
The InChIKey is ZOMQFUUCPXOFQZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H9FN2OS2/c1-6(14)7-2-3-9(8(11)4-7)16-10-13-12-5-15-10/h2-6,14H,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol?
(1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol has a molecular weight of 256.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 63812644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).