N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine

C14H15FN6S — CID 25205243

IUPACN-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCCCn1cc(-c2nsc(Nc3cccc(F)n3)n2)c(C)n1
InChIInChI=1S/C14H15FN6S/c1-3-7-21-8-10(9(2)19-21)13-18-14(22-20-13)17-12-6-4-5-11(15)16-12/h4-6,8H,3,7H2,1-2H3,(H,16,17,18,20)
InChIKeyKGHQFJPAIPAWOK-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.40
Rot. Bonds5

About N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine

N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 25205243) has the molecular formula C14H15FN6S and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID25205243
Molecular FormulaC14H15FN6S
Molecular Weight318.38 g/mol
Exact Mass318.11
IUPAC NameN-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCCCn1cc(-c2nsc(Nc3cccc(F)n3)n2)c(C)n1
InChIInChI=1S/C14H15FN6S/c1-3-7-21-8-10(9(2)19-21)13-18-14(22-20-13)17-12-6-4-5-11(15)16-12/h4-6,8H,3,7H2,1-2H3,(H,16,17,18,20)
InChIKeyKGHQFJPAIPAWOK-UHFFFAOYSA-N
XLogP3.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine (CID 25205243) is N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine is CCCn1cc(-c2nsc(Nc3cccc(F)n3)n2)c(C)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KGHQFJPAIPAWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6S/c1-3-7-21-8-10(9(2)19-21)13-18-14(22-20-13)17-12-6-4-5-11(15)16-12/h4-6,8H,3,7H2,1-2H3,(H,16,17,18,20).
What are the key properties of N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 318.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-3-(3-methyl-1-propylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 25205243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).