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

C11H13N3OS2 — CID 114057189

IUPAC(1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol
SMILESCCc1nsc(Sc2ncccc2[C@@H](C)O)n1
InChIInChI=1S/C11H13N3OS2/c1-3-9-13-11(17-14-9)16-10-8(7(2)15)5-4-6-12-10/h4-7,15H,3H2,1-2H3/t7-/m1/s1
InChIKeyZZLHSPDVCRINAO-SSDOTTSWSA-N
MW267.38 g/mol
LogP2.70
Rot. Bonds4

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

(1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol (PubChem CID 114057189) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is (1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol
PubChem CID114057189
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name(1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol
SMILESCCc1nsc(Sc2ncccc2[C@@H](C)O)n1
InChIInChI=1S/C11H13N3OS2/c1-3-9-13-11(17-14-9)16-10-8(7(2)15)5-4-6-12-10/h4-7,15H,3H2,1-2H3/t7-/m1/s1
InChIKeyZZLHSPDVCRINAO-SSDOTTSWSA-N
XLogP2.70
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057131
(1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057152
(1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057147
2-[[3-(1-hydroxyethyl)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 114057142
8-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]imidazo[1,2-a]pyrazin-6-amine
CID 80894487
5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole
CID 104779107
N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine
CID 114056820
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
CID 80663619
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzoic acid
CID 65271954
5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133492668
5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine
CID 114073926
[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-3-pyridinyl]methanamine
CID 80650767

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol (CID 114057189) is (1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol is CCc1nsc(Sc2ncccc2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol?
The InChIKey is ZZLHSPDVCRINAO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-3-9-13-11(17-14-9)16-10-8(7(2)15)5-4-6-12-10/h4-7,15H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol?
(1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol has a molecular weight of 267.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol is sourced from PubChem (CID 114057189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).