3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole

C14H14N4O2S — CID 100743288

IUPAC3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole
SMILESCO[C@H](C)c1nsc(Oc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C14H14N4O2S/c1-10(19-2)13-16-14(21-17-13)20-12-6-4-11(5-7-12)18-9-3-8-15-18/h3-10H,1-2H3/t10-/m1/s1
InChIKeyKMJLPPHJEZRSAA-SNVBAGLBSA-N
MW302.36 g/mol
LogP3.22
Rot. Bonds5

About 3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole

3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole (PubChem CID 100743288) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole
PubChem CID100743288
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole
SMILESCO[C@H](C)c1nsc(Oc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C14H14N4O2S/c1-10(19-2)13-16-14(21-17-13)20-12-6-4-11(5-7-12)18-9-3-8-15-18/h3-10H,1-2H3/t10-/m1/s1
InChIKeyKMJLPPHJEZRSAA-SNVBAGLBSA-N
XLogP3.22
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole (CID 100743288) is 3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole is CO[C@H](C)c1nsc(Oc2ccc(-n3cccn3)cc2)n1.
What is the InChIKey of 3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole?
The InChIKey is KMJLPPHJEZRSAA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10(19-2)13-16-14(21-17-13)20-12-6-4-11(5-7-12)18-9-3-8-15-18/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of 3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole?
3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole has a molecular weight of 302.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 100743288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).