3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole

C13H12N4OS — CID 122159004

IUPAC3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2cccc(-n3cccn3)c2)n1
InChIInChI=1S/C13H12N4OS/c1-2-12-15-13(19-16-12)18-11-6-3-5-10(9-11)17-8-4-7-14-17/h3-9H,2H2,1H3
InChIKeyKQJFBKRAJKTXMV-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.08
Rot. Bonds4

About 3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole

3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole (PubChem CID 122159004) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole
PubChem CID122159004
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2cccc(-n3cccn3)c2)n1
InChIInChI=1S/C13H12N4OS/c1-2-12-15-13(19-16-12)18-11-6-3-5-10(9-11)17-8-4-7-14-17/h3-9H,2H2,1H3
InChIKeyKQJFBKRAJKTXMV-UHFFFAOYSA-N
XLogP3.08
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1R)-1-methoxyethyl]-5-(4-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole
CID 100743288
(3-pyrazol-1-ylphenyl) acetate
CID 67940109
2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine
CID 65274967
3-(chloromethyl)-5-phenoxy-1,2,4-thiadiazole
CID 13106144
(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
CID 52988138
ethyl 3-pyrazol-1-ylbenzenecarboximidate
CID 175336696
N-methyl-1-(3-pyrazol-1-ylphenyl)butan-1-imine
CID 123549247
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
3-[3-(3-pyrazol-1-ylphenoxy)phenyl]-7-oxa-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 140729734
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
1-(3-chloro-4-ethylphenyl)pyrazole
CID 70883363
ethyl (3S)-3-amino-3-(3-pyrazol-1-ylphenyl)propanoate
CID 140935403

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole (CID 122159004) is 3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole is CCc1nsc(Oc2cccc(-n3cccn3)c2)n1.
What is the InChIKey of 3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole?
The InChIKey is KQJFBKRAJKTXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-2-12-15-13(19-16-12)18-11-6-3-5-10(9-11)17-8-4-7-14-17/h3-9H,2H2,1H3.
What are the key properties of 3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole?
3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole has a molecular weight of 272.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-pyrazol-1-ylphenoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 122159004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).