6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine

C11H12N4S — CID 661794

IUPAC6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
SMILESCc1cc2n(n1)SC(Nc1ccccc1)N2
InChIInChI=1S/C11H12N4S/c1-8-7-10-13-11(16-15(10)14-8)12-9-5-3-2-4-6-9/h2-7,11-13H,1H3
InChIKeyGRUDNJWCIFKAFB-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.51
Rot. Bonds2

About 6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine

6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine (PubChem CID 661794) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
PubChem CID661794
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
SMILESCc1cc2n(n1)SC(Nc1ccccc1)N2
InChIInChI=1S/C11H12N4S/c1-8-7-10-13-11(16-15(10)14-8)12-9-5-3-2-4-6-9/h2-7,11-13H,1H3
InChIKeyGRUDNJWCIFKAFB-UHFFFAOYSA-N
XLogP2.51
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine?
The IUPAC name of 6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine (CID 661794) is 6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine.
What is the SMILES notation for 6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine?
The canonical SMILES for 6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine is Cc1cc2n(n1)SC(Nc1ccccc1)N2.
What is the InChIKey of 6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine?
The InChIKey is GRUDNJWCIFKAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-8-7-10-13-11(16-15(10)14-8)12-9-5-3-2-4-6-9/h2-7,11-13H,1H3.
What are the key properties of 6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine?
6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine is sourced from PubChem (CID 661794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).