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

C11H12N2O3S — CID 80618706

IUPAC[5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol
SMILESCOCc1cccc(Oc2nnc(CO)s2)c1
InChIInChI=1S/C11H12N2O3S/c1-15-7-8-3-2-4-9(5-8)16-11-13-12-10(6-14)17-11/h2-5,14H,6-7H2,1H3
InChIKeyIZLKLGFJVJHGIO-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.97
Rot. Bonds5

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

[5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80618706) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is [5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80618706
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name[5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol
SMILESCOCc1cccc(Oc2nnc(CO)s2)c1
InChIInChI=1S/C11H12N2O3S/c1-15-7-8-3-2-4-9(5-8)16-11-13-12-10(6-14)17-11/h2-5,14H,6-7H2,1H3
InChIKeyIZLKLGFJVJHGIO-UHFFFAOYSA-N
XLogP1.97
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80619716
[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80619196
[6-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63986464
[5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80618555
N-[[5-(3-ethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80623632
[5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80620950
N-[[5-(3-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624786
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
N-[[5-(3-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623316
6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide
CID 64593563
2-(3-tert-butylphenoxy)-5-(chloromethyl)-1,3,4-thiadiazole
CID 80618992
3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid
CID 80518415

Frequently Asked Questions

What is the IUPAC name of [5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol (CID 80618706) is [5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol is COCc1cccc(Oc2nnc(CO)s2)c1.
What is the InChIKey of [5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is IZLKLGFJVJHGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-15-7-8-3-2-4-9(5-8)16-11-13-12-10(6-14)17-11/h2-5,14H,6-7H2,1H3.
What are the key properties of [5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol?
[5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 252.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80618706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).