(1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol

C11H11BrN2OS2 — CID 78951532

IUPAC(1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCc1nnc(Sc2ccc([C@@H](C)O)cc2Br)s1
InChIInChI=1S/C11H11BrN2OS2/c1-6(15)8-3-4-10(9(12)5-8)17-11-14-13-7(2)16-11/h3-6,15H,1-2H3/t6-/m1/s1
InChIKeyOSJJAWOKSBAZLB-ZCFIWIBFSA-N
MW331.26 g/mol
LogP3.81
Rot. Bonds3

About (1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol

(1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol (PubChem CID 78951532) has the molecular formula C11H11BrN2OS2 and a molecular weight of 331.26 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
PubChem CID78951532
Molecular FormulaC11H11BrN2OS2
Molecular Weight331.26 g/mol
Exact Mass329.95
IUPAC Name(1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCc1nnc(Sc2ccc([C@@H](C)O)cc2Br)s1
InChIInChI=1S/C11H11BrN2OS2/c1-6(15)8-3-4-10(9(12)5-8)17-11-14-13-7(2)16-11/h3-6,15H,1-2H3/t6-/m1/s1
InChIKeyOSJJAWOKSBAZLB-ZCFIWIBFSA-N
XLogP3.81
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol with MolForge

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Related Compounds

(1S)-1-[3-bromo-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 65041045
(1R)-1-(3-bromo-4-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952023
1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63814435
1-[3-bromo-4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 63814157
1-[3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 62911755
(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 78951403
2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
CID 64624757
1-(3-bromo-4-ethylsulfanylphenyl)ethanol
CID 63813802
4-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 65342054
(1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol
CID 78951642
(1S)-1-(3-bromo-4-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 78951799
[5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 114893834

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol (CID 78951532) is (1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol is Cc1nnc(Sc2ccc([C@@H](C)O)cc2Br)s1.
What is the InChIKey of (1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol?
The InChIKey is OSJJAWOKSBAZLB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11BrN2OS2/c1-6(15)8-3-4-10(9(12)5-8)17-11-14-13-7(2)16-11/h3-6,15H,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol?
(1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol has a molecular weight of 331.26 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol is sourced from PubChem (CID 78951532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).