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

C9H13N5S — CID 6492922

IUPAC5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)n(CCc2nnc(N)s2)n1
InChIInChI=1S/C9H13N5S/c1-6-5-7(2)14(13-6)4-3-8-11-12-9(10)15-8/h5H,3-4H2,1-2H3,(H2,10,12)
InChIKeyXPCVJUWJYSVGJV-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.18
Rot. Bonds3

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

5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 6492922) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID6492922
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)n(CCc2nnc(N)s2)n1
InChIInChI=1S/C9H13N5S/c1-6-5-7(2)14(13-6)4-3-8-11-12-9(10)15-8/h5H,3-4H2,1-2H3,(H2,10,12)
InChIKeyXPCVJUWJYSVGJV-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 6492922) is 5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1cc(C)n(CCc2nnc(N)s2)n1.
What is the InChIKey of 5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XPCVJUWJYSVGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-6-5-7(2)14(13-6)4-3-8-11-12-9(10)15-8/h5H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 223.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6492922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).