(1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol

C9H9N3OS2 — CID 83128395

IUPAC(1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(Sc2nncs2)cn1
InChIInChI=1S/C9H9N3OS2/c1-6(13)8-3-2-7(4-10-8)15-9-12-11-5-14-9/h2-6,13H,1H3/t6-/m0/s1
InChIKeyRBNAMPIVIICSNN-LURJTMIESA-N
MW239.33 g/mol
LogP2.14
Rot. Bonds3

About (1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol

(1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol (PubChem CID 83128395) has the molecular formula C9H9N3OS2 and a molecular weight of 239.33 g/mol. Its IUPAC name is (1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol
PubChem CID83128395
Molecular FormulaC9H9N3OS2
Molecular Weight239.33 g/mol
Exact Mass239.02
IUPAC Name(1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(Sc2nncs2)cn1
InChIInChI=1S/C9H9N3OS2/c1-6(13)8-3-2-7(4-10-8)15-9-12-11-5-14-9/h2-6,13H,1H3/t6-/m0/s1
InChIKeyRBNAMPIVIICSNN-LURJTMIESA-N
XLogP2.14
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol (CID 83128395) is (1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol is C[C@H](O)c1ccc(Sc2nncs2)cn1.
What is the InChIKey of (1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol?
The InChIKey is RBNAMPIVIICSNN-LURJTMIESA-N. The full InChI is InChI=1S/C9H9N3OS2/c1-6(13)8-3-2-7(4-10-8)15-9-12-11-5-14-9/h2-6,13H,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol?
(1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol has a molecular weight of 239.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 83128395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).