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

C8H8F3N5S — CID 171315920

IUPAC5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C(F)(F)F)nn1Cc1nnc(N)s1
InChIInChI=1S/C8H8F3N5S/c1-4-2-5(8(9,10)11)15-16(4)3-6-13-14-7(12)17-6/h2H,3H2,1H3,(H2,12,14)
InChIKeyPUMAZJLVMYYPTO-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.69
Rot. Bonds2

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

5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 171315920) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID171315920
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC Name5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C(F)(F)F)nn1Cc1nnc(N)s1
InChIInChI=1S/C8H8F3N5S/c1-4-2-5(8(9,10)11)15-16(4)3-6-13-14-7(12)17-6/h2H,3H2,1H3,(H2,12,14)
InChIKeyPUMAZJLVMYYPTO-UHFFFAOYSA-N
XLogP1.69
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 171315920) is 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine is Cc1cc(C(F)(F)F)nn1Cc1nnc(N)s1.
What is the InChIKey of 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PUMAZJLVMYYPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5S/c1-4-2-5(8(9,10)11)15-16(4)3-6-13-14-7(12)17-6/h2H,3H2,1H3,(H2,12,14).
What are the key properties of 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 263.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 171315920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).