4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine

C7H9N5O2S2 — CID 165470005

IUPAC4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine
SMILESCS(=O)(=O)c1cnn(Cc2nnsc2N)c1
InChIInChI=1S/C7H9N5O2S2/c1-16(13,14)5-2-9-12(3-5)4-6-7(8)15-11-10-6/h2-3H,4,8H2,1H3
InChIKeyFLUITVNTYABZEC-UHFFFAOYSA-N
MW259.32 g/mol
LogP-0.23
Rot. Bonds3

About 4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine

4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine (PubChem CID 165470005) has the molecular formula C7H9N5O2S2 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine
PubChem CID165470005
Molecular FormulaC7H9N5O2S2
Molecular Weight259.32 g/mol
Exact Mass259.02
IUPAC Name4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine
SMILESCS(=O)(=O)c1cnn(Cc2nnsc2N)c1
InChIInChI=1S/C7H9N5O2S2/c1-16(13,14)5-2-9-12(3-5)4-6-7(8)15-11-10-6/h2-3H,4,8H2,1H3
InChIKeyFLUITVNTYABZEC-UHFFFAOYSA-N
XLogP-0.23
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine (CID 165470005) is 4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine is CS(=O)(=O)c1cnn(Cc2nnsc2N)c1.
What is the InChIKey of 4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is FLUITVNTYABZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S2/c1-16(13,14)5-2-9-12(3-5)4-6-7(8)15-11-10-6/h2-3H,4,8H2,1H3.
What are the key properties of 4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine?
4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 259.32 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfonylpyrazol-1-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 165470005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).