1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol

C10H10N2OS — CID 131219601

IUPAC1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1cnsn1)c1ccccc1
InChIInChI=1S/C10H10N2OS/c13-10(6-9-7-11-14-12-9)8-4-2-1-3-5-8/h1-5,7,10,13H,6H2
InChIKeyCUKCEBTZJYFREL-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.81
Rot. Bonds3

About 1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol

1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol (PubChem CID 131219601) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol
PubChem CID131219601
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1cnsn1)c1ccccc1
InChIInChI=1S/C10H10N2OS/c13-10(6-9-7-11-14-12-9)8-4-2-1-3-5-8/h1-5,7,10,13H,6H2
InChIKeyCUKCEBTZJYFREL-UHFFFAOYSA-N
XLogP1.81
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1,2-diphenylethanol
CID 1379022
1-(5-chlorofuran-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 130815155
2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal
CID 130815190
1-phenyl-2-(5-phenyl-2-pyridinyl)ethanol
CID 144927462
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
2-(1,2,5-thiadiazol-3-ylmethyl)butan-1-ol
CID 131227000
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 79712451
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol?
The IUPAC name of 1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol (CID 131219601) is 1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol.
What is the SMILES notation for 1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol?
The canonical SMILES for 1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol is OC(Cc1cnsn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol?
The InChIKey is CUKCEBTZJYFREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-10(6-9-7-11-14-12-9)8-4-2-1-3-5-8/h1-5,7,10,13H,6H2.
What are the key properties of 1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol?
1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol has a molecular weight of 206.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1,2,5-thiadiazol-3-yl)ethanol is sourced from PubChem (CID 131219601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).