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

C6H7N5S — CID 171819215

IUPAC5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccnn1-c1nnc(N)s1
InChIInChI=1S/C6H7N5S/c1-4-2-3-8-11(4)6-10-9-5(7)12-6/h2-3H,1H3,(H2,7,9)
InChIKeyZRPLPVCVXLDMCL-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.61
Rot. Bonds1

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

5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 171819215) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine
PubChem CID171819215
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccnn1-c1nnc(N)s1
InChIInChI=1S/C6H7N5S/c1-4-2-3-8-11(4)6-10-9-5(7)12-6/h2-3H,1H3,(H2,7,9)
InChIKeyZRPLPVCVXLDMCL-UHFFFAOYSA-N
XLogP0.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine (CID 171819215) is 5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine is Cc1ccnn1-c1nnc(N)s1.
What is the InChIKey of 5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZRPLPVCVXLDMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-4-2-3-8-11(4)6-10-9-5(7)12-6/h2-3H,1H3,(H2,7,9).
What are the key properties of 5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine?
5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 181.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 171819215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).