[5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol

C9H7ClN2O2S — CID 80619716

IUPAC[5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESOCc1nnc(Oc2cccc(Cl)c2)s1
InChIInChI=1S/C9H7ClN2O2S/c10-6-2-1-3-7(4-6)14-9-12-11-8(5-13)15-9/h1-4,13H,5H2
InChIKeyJGAHOPIHPBYTEW-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.48
Rot. Bonds3

About [5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol

[5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80619716) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is [5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80619716
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name[5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESOCc1nnc(Oc2cccc(Cl)c2)s1
InChIInChI=1S/C9H7ClN2O2S/c10-6-2-1-3-7(4-6)14-9-12-11-8(5-13)15-9/h1-4,13H,5H2
InChIKeyJGAHOPIHPBYTEW-UHFFFAOYSA-N
XLogP2.48
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80618555
[5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol
CID 80618706
[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80618543
[5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80620950
2-(3-tert-butylphenoxy)-5-(chloromethyl)-1,3,4-thiadiazole
CID 80618992
N-[[5-(3-tert-butylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80620300
[5-(3-chlorophenoxy)pyrazin-2-yl]methanol
CID 107373083
2-(3-chlorophenoxy)-1,3-thiazol-4-amine
CID 117189228
ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate
CID 59823678
[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80624779
N-[[5-(3-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623316
[2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate
CID 91050842

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol (CID 80619716) is [5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol is OCc1nnc(Oc2cccc(Cl)c2)s1.
What is the InChIKey of [5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is JGAHOPIHPBYTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-6-2-1-3-7(4-6)14-9-12-11-8(5-13)15-9/h1-4,13H,5H2.
What are the key properties of [5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol?
[5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 242.69 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80619716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).