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

C11H11ClN2O2S — CID 80617706

IUPAC[5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESCc1cc(Oc2nnc(CO)s2)cc(C)c1Cl
InChIInChI=1S/C11H11ClN2O2S/c1-6-3-8(4-7(2)10(6)12)16-11-14-13-9(5-15)17-11/h3-4,15H,5H2,1-2H3
InChIKeyMRYHWEWNDFZSAB-UHFFFAOYSA-N
MW270.74 g/mol
LogP3.09
Rot. Bonds3

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

[5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80617706) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is [5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80617706
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name[5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESCc1cc(Oc2nnc(CO)s2)cc(C)c1Cl
InChIInChI=1S/C11H11ClN2O2S/c1-6-3-8(4-7(2)10(6)12)16-11-14-13-9(5-15)17-11/h3-4,15H,5H2,1-2H3
InChIKeyMRYHWEWNDFZSAB-UHFFFAOYSA-N
XLogP3.09
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol (CID 80617706) is [5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol is Cc1cc(Oc2nnc(CO)s2)cc(C)c1Cl.
What is the InChIKey of [5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is MRYHWEWNDFZSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-6-3-8(4-7(2)10(6)12)16-11-14-13-9(5-15)17-11/h3-4,15H,5H2,1-2H3.
What are the key properties of [5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol?
[5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 270.74 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-3,5-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80617706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).