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

C7H8N4O2S — CID 130511340

IUPAC[5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol
SMILESCOc1cnn(-c2nnc(CO)s2)c1
InChIInChI=1S/C7H8N4O2S/c1-13-5-2-8-11(3-5)7-10-9-6(4-12)14-7/h2-3,12H,4H2,1H3
InChIKeyKKASFELPGDUEOA-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.22
Rot. Bonds3

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

[5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 130511340) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is [5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol
PubChem CID130511340
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC Name[5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol
SMILESCOc1cnn(-c2nnc(CO)s2)c1
InChIInChI=1S/C7H8N4O2S/c1-13-5-2-8-11(3-5)7-10-9-6(4-12)14-7/h2-3,12H,4H2,1H3
InChIKeyKKASFELPGDUEOA-UHFFFAOYSA-N
XLogP0.22
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol (CID 130511340) is [5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol is COc1cnn(-c2nnc(CO)s2)c1.
What is the InChIKey of [5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is KKASFELPGDUEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c1-13-5-2-8-11(3-5)7-10-9-6(4-12)14-7/h2-3,12H,4H2,1H3.
What are the key properties of [5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol?
[5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 212.23 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 130511340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).