5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine

C9H13N5S — CID 66122200

IUPAC5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine
SMILESCCc1cc(-c2nc(N)ns2)n(CC)n1
InChIInChI=1S/C9H13N5S/c1-3-6-5-7(14(4-2)12-6)8-11-9(10)13-15-8/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKeyFIQAIANOSPXARE-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.57
Rot. Bonds3

About 5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine

5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66122200) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66122200
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine
SMILESCCc1cc(-c2nc(N)ns2)n(CC)n1
InChIInChI=1S/C9H13N5S/c1-3-6-5-7(14(4-2)12-6)8-11-9(10)13-15-8/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKeyFIQAIANOSPXARE-UHFFFAOYSA-N
XLogP1.57
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine (CID 66122200) is 5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine is CCc1cc(-c2nc(N)ns2)n(CC)n1.
What is the InChIKey of 5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is FIQAIANOSPXARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-3-6-5-7(14(4-2)12-6)8-11-9(10)13-15-8/h5H,3-4H2,1-2H3,(H2,10,13).
What are the key properties of 5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine?
5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 223.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-diethylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66122200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).