[4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol

C11H13N3O3S — CID 107744788

IUPAC[4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OCc1nnc(N)s1
InChIInChI=1S/C11H13N3O3S/c1-16-9-4-7(5-15)2-3-8(9)17-6-10-13-14-11(12)18-10/h2-4,15H,5-6H2,1H3,(H2,12,14)
InChIKeyXFUUYLKXEWCKQK-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.20
Rot. Bonds5

About [4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol

[4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol (PubChem CID 107744788) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is [4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol
PubChem CID107744788
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name[4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OCc1nnc(N)s1
InChIInChI=1S/C11H13N3O3S/c1-16-9-4-7(5-15)2-3-8(9)17-6-10-13-14-11(12)18-10/h2-4,15H,5-6H2,1H3,(H2,12,14)
InChIKeyXFUUYLKXEWCKQK-UHFFFAOYSA-N
XLogP1.20
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742775
[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782963
[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol
CID 62700689
5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685779
5-[(2,4-ditert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 7139278
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
3-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]benzenecarbothioamide
CID 107743137
[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782967
N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide
CID 107743240
[4-[(6-hydrazinyl-2-pyridinyl)methoxy]-3-methoxyphenyl]methanol
CID 107744846

Frequently Asked Questions

What is the IUPAC name of [4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol?
The IUPAC name of [4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol (CID 107744788) is [4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol is COc1cc(CO)ccc1OCc1nnc(N)s1.
What is the InChIKey of [4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol?
The InChIKey is XFUUYLKXEWCKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-16-9-4-7(5-15)2-3-8(9)17-6-10-13-14-11(12)18-10/h2-4,15H,5-6H2,1H3,(H2,12,14).
What are the key properties of [4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol?
[4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol has a molecular weight of 267.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol is sourced from PubChem (CID 107744788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).