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

C8H11N5S — CID 66120379

IUPAC5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine
SMILESCCc1cc(-c2nc(N)ns2)n(C)n1
InChIInChI=1S/C8H11N5S/c1-3-5-4-6(13(2)11-5)7-10-8(9)12-14-7/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyLVKFXSUHGWGGRB-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.08
Rot. Bonds2

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

5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66120379) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66120379
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine
SMILESCCc1cc(-c2nc(N)ns2)n(C)n1
InChIInChI=1S/C8H11N5S/c1-3-5-4-6(13(2)11-5)7-10-8(9)12-14-7/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyLVKFXSUHGWGGRB-UHFFFAOYSA-N
XLogP1.08
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine (CID 66120379) is 5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine is CCc1cc(-c2nc(N)ns2)n(C)n1.
What is the InChIKey of 5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is LVKFXSUHGWGGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-3-5-4-6(13(2)11-5)7-10-8(9)12-14-7/h4H,3H2,1-2H3,(H2,9,12).
What are the key properties of 5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine?
5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 209.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66120379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).