5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole

C6H6N4OS — CID 158363209

IUPAC5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole
SMILESCOc1nc(-c2cn[nH]c2)ns1
InChIInChI=1S/C6H6N4OS/c1-11-6-9-5(10-12-6)4-2-7-8-3-4/h2-3H,1H3,(H,7,8)
InChIKeyMDXSKYICZTYZGQ-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.94
Rot. Bonds2

About 5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole

5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole (PubChem CID 158363209) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is 5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole
PubChem CID158363209
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole
SMILESCOc1nc(-c2cn[nH]c2)ns1
InChIInChI=1S/C6H6N4OS/c1-11-6-9-5(10-12-6)4-2-7-8-3-4/h2-3H,1H3,(H,7,8)
InChIKeyMDXSKYICZTYZGQ-UHFFFAOYSA-N
XLogP0.94
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole (CID 158363209) is 5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole is COc1nc(-c2cn[nH]c2)ns1.
What is the InChIKey of 5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole?
The InChIKey is MDXSKYICZTYZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c1-11-6-9-5(10-12-6)4-2-7-8-3-4/h2-3H,1H3,(H,7,8).
What are the key properties of 5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole?
5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole has a molecular weight of 182.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 158363209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).