3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine

C17H13FN6S — CID 68971847

IUPAC3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCc1c(-c2nsc(Nc3ccccn3)n2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN6S/c1-11-14(10-20-24(11)13-7-5-12(18)6-8-13)16-22-17(25-23-16)21-15-4-2-3-9-19-15/h2-10H,1H3,(H,19,21,22,23)
InChIKeyPJKYETGRUJMIPM-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.98
Rot. Bonds4

About 3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine

3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 68971847) has the molecular formula C17H13FN6S and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID68971847
Molecular FormulaC17H13FN6S
Molecular Weight352.40 g/mol
Exact Mass352.09
IUPAC Name3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCc1c(-c2nsc(Nc3ccccn3)n2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN6S/c1-11-14(10-20-24(11)13-7-5-12(18)6-8-13)16-22-17(25-23-16)21-15-4-2-3-9-19-15/h2-10H,1H3,(H,19,21,22,23)
InChIKeyPJKYETGRUJMIPM-UHFFFAOYSA-N
XLogP3.98
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-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 3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine (CID 68971847) is 3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine is Cc1c(-c2nsc(Nc3ccccn3)n2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is PJKYETGRUJMIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6S/c1-11-14(10-20-24(11)13-7-5-12(18)6-8-13)16-22-17(25-23-16)21-15-4-2-3-9-19-15/h2-10H,1H3,(H,19,21,22,23).
What are the key properties of 3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 352.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 68971847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).