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

C7H9N5S — CID 4774988

IUPAC5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(-c2nnc(N)s2)n(C)n1
InChIInChI=1S/C7H9N5S/c1-4-3-5(12(2)11-4)6-9-10-7(8)13-6/h3H,1-2H3,(H2,8,10)
InChIKeyASQIYHMJGNNABQ-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.83
Rot. Bonds1

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

5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 4774988) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID4774988
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(-c2nnc(N)s2)n(C)n1
InChIInChI=1S/C7H9N5S/c1-4-3-5(12(2)11-4)6-9-10-7(8)13-6/h3H,1-2H3,(H2,8,10)
InChIKeyASQIYHMJGNNABQ-UHFFFAOYSA-N
XLogP0.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine (CID 4774988) is 5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine is Cc1cc(-c2nnc(N)s2)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ASQIYHMJGNNABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-4-3-5(12(2)11-4)6-9-10-7(8)13-6/h3H,1-2H3,(H2,8,10).
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?
5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 195.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4774988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).