3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine

C14H13F3N6S — CID 68968692

IUPAC3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCCn1cc(-c2nsc(Nc3ccccn3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C14H13F3N6S/c1-2-7-23-8-9(11(21-23)14(15,16)17)12-20-13(24-22-12)19-10-5-3-4-6-18-10/h3-6,8H,2,7H2,1H3,(H,18,19,20,22)
InChIKeyKMYMGUKIOHKYGZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.97
Rot. Bonds5

About 3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine

3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 68968692) has the molecular formula C14H13F3N6S and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID68968692
Molecular FormulaC14H13F3N6S
Molecular Weight354.36 g/mol
Exact Mass354.09
IUPAC Name3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCCn1cc(-c2nsc(Nc3ccccn3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C14H13F3N6S/c1-2-7-23-8-9(11(21-23)14(15,16)17)12-20-13(24-22-12)19-10-5-3-4-6-18-10/h3-6,8H,2,7H2,1H3,(H,18,19,20,22)
InChIKeyKMYMGUKIOHKYGZ-UHFFFAOYSA-N
XLogP3.97
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine (CID 68968692) is 3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine is CCCn1cc(-c2nsc(Nc3ccccn3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is KMYMGUKIOHKYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6S/c1-2-7-23-8-9(11(21-23)14(15,16)17)12-20-13(24-22-12)19-10-5-3-4-6-18-10/h3-6,8H,2,7H2,1H3,(H,18,19,20,22).
What are the key properties of 3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 354.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 68968692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).