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

C11H12N2O2S — CID 80619196

IUPAC[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESCc1ccc(Oc2nnc(CO)s2)cc1C
InChIInChI=1S/C11H12N2O2S/c1-7-3-4-9(5-8(7)2)15-11-13-12-10(6-14)16-11/h3-5,14H,6H2,1-2H3
InChIKeyITIQRTURWZEMLC-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.44
Rot. Bonds3

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

[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80619196) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is [5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80619196
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESCc1ccc(Oc2nnc(CO)s2)cc1C
InChIInChI=1S/C11H12N2O2S/c1-7-3-4-9(5-8(7)2)15-11-13-12-10(6-14)16-11/h3-5,14H,6H2,1-2H3
InChIKeyITIQRTURWZEMLC-UHFFFAOYSA-N
XLogP2.44
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol with MolForge

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Related Compounds

N-[[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624313
[5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80618555
[5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80619716
[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80624779
[5-(4-bromo-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 83134197
[5-[3-(methoxymethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methanol
CID 80618706
1-[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80623309
N-[[5-(4-bromo-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 83134665
N-[[5-(3-fluoro-4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107170637
N-[[5-(4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623942
[2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol
CID 113387908
[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628087

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol (CID 80619196) is [5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol is Cc1ccc(Oc2nnc(CO)s2)cc1C.
What is the InChIKey of [5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is ITIQRTURWZEMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-3-4-9(5-8(7)2)15-11-13-12-10(6-14)16-11/h3-5,14H,6H2,1-2H3.
What are the key properties of [5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol?
[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 236.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80619196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).