(1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol

C10H11N3OS3 — CID 115383973

IUPAC(1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol
SMILESCSc1nnc(Sc2cc([C@@H](C)O)ccn2)s1
InChIInChI=1S/C10H11N3OS3/c1-6(14)7-3-4-11-8(5-7)16-10-13-12-9(15-2)17-10/h3-6,14H,1-2H3/t6-/m1/s1
InChIKeyCVIIHMYOORVABD-ZCFIWIBFSA-N
MW285.42 g/mol
LogP2.86
Rot. Bonds4

About (1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol

(1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol (PubChem CID 115383973) has the molecular formula C10H11N3OS3 and a molecular weight of 285.42 g/mol. Its IUPAC name is (1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol
PubChem CID115383973
Molecular FormulaC10H11N3OS3
Molecular Weight285.42 g/mol
Exact Mass285.01
IUPAC Name(1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol
SMILESCSc1nnc(Sc2cc([C@@H](C)O)ccn2)s1
InChIInChI=1S/C10H11N3OS3/c1-6(14)7-3-4-11-8(5-7)16-10-13-12-9(15-2)17-10/h3-6,14H,1-2H3/t6-/m1/s1
InChIKeyCVIIHMYOORVABD-ZCFIWIBFSA-N
XLogP2.86
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
CID 113298870
2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115280336
1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-pyridinyl]ethanol
CID 106926920
(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 106933430
1-(2-methyl-4-pyridinyl)ethanol
CID 106756390
2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine
CID 115382764
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 115384369
(1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951532
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 47150238
4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382743
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol
CID 78912038
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 113298644

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol (CID 115383973) is (1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol is CSc1nnc(Sc2cc([C@@H](C)O)ccn2)s1.
What is the InChIKey of (1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol?
The InChIKey is CVIIHMYOORVABD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11N3OS3/c1-6(14)7-3-4-11-8(5-7)16-10-13-12-9(15-2)17-10/h3-6,14H,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol?
(1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol has a molecular weight of 285.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol is sourced from PubChem (CID 115383973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).