3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine

C15H15F3N6S — CID 25205237

IUPAC3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILESCCCn1cc(-c2nsc(Nc3ncccc3C(F)(F)F)n2)c(C)n1
InChIInChI=1S/C15H15F3N6S/c1-3-7-24-8-10(9(2)22-24)12-20-14(25-23-12)21-13-11(15(16,17)18)5-4-6-19-13/h4-6,8H,3,7H2,1-2H3,(H,19,20,21,23)
InChIKeySQRJBWVBVADBKR-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.28
Rot. Bonds5

About 3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine

3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine (PubChem CID 25205237) has the molecular formula C15H15F3N6S and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
PubChem CID25205237
Molecular FormulaC15H15F3N6S
Molecular Weight368.39 g/mol
Exact Mass368.10
IUPAC Name3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILESCCCn1cc(-c2nsc(Nc3ncccc3C(F)(F)F)n2)c(C)n1
InChIInChI=1S/C15H15F3N6S/c1-3-7-24-8-10(9(2)22-24)12-20-14(25-23-12)21-13-11(15(16,17)18)5-4-6-19-13/h4-6,8H,3,7H2,1-2H3,(H,19,20,21,23)
InChIKeySQRJBWVBVADBKR-UHFFFAOYSA-N
XLogP4.28
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine (CID 25205237) is 3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine is CCCn1cc(-c2nsc(Nc3ncccc3C(F)(F)F)n2)c(C)n1.
What is the InChIKey of 3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is SQRJBWVBVADBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6S/c1-3-7-24-8-10(9(2)22-24)12-20-14(25-23-12)21-13-11(15(16,17)18)5-4-6-19-13/h4-6,8H,3,7H2,1-2H3,(H,19,20,21,23).
What are the key properties of 3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 368.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 25205237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).