5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine

C6H8N6S — CID 172588651

IUPAC5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine
SMILESCNc1ccnn1-c1nnc(N)s1
InChIInChI=1S/C6H8N6S/c1-8-4-2-3-9-12(4)6-11-10-5(7)13-6/h2-3,8H,1H3,(H2,7,10)
InChIKeyXWZFLVMPCOYECM-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.35
Rot. Bonds2

About 5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine

5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 172588651) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is 5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine
PubChem CID172588651
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine
SMILESCNc1ccnn1-c1nnc(N)s1
InChIInChI=1S/C6H8N6S/c1-8-4-2-3-9-12(4)6-11-10-5(7)13-6/h2-3,8H,1H3,(H2,7,10)
InChIKeyXWZFLVMPCOYECM-UHFFFAOYSA-N
XLogP0.35
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine (CID 172588651) is 5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine is CNc1ccnn1-c1nnc(N)s1.
What is the InChIKey of 5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XWZFLVMPCOYECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c1-8-4-2-3-9-12(4)6-11-10-5(7)13-6/h2-3,8H,1H3,(H2,7,10).
What are the key properties of 5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine?
5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 196.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methylamino)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 172588651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).