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

C6H4F3N5S — CID 114450068

IUPAC1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine
SMILESNc1ccn(-c2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C6H4F3N5S/c7-6(8,9)4-11-12-5(15-4)14-2-1-3(10)13-14/h1-2H,(H2,10,13)
InChIKeyIXYDRBBPZFBFST-UHFFFAOYSA-N
MW235.19 g/mol
LogP1.32
Rot. Bonds1

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

1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine (PubChem CID 114450068) has the molecular formula C6H4F3N5S and a molecular weight of 235.19 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine
PubChem CID114450068
Molecular FormulaC6H4F3N5S
Molecular Weight235.19 g/mol
Exact Mass235.01
IUPAC Name1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine
SMILESNc1ccn(-c2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C6H4F3N5S/c7-6(8,9)4-11-12-5(15-4)14-2-1-3(10)13-14/h1-2H,(H2,10,13)
InChIKeyIXYDRBBPZFBFST-UHFFFAOYSA-N
XLogP1.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine (CID 114450068) is 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine is Nc1ccn(-c2nnc(C(F)(F)F)s2)n1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine?
The InChIKey is IXYDRBBPZFBFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5S/c7-6(8,9)4-11-12-5(15-4)14-2-1-3(10)13-14/h1-2H,(H2,10,13).
What are the key properties of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine?
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine has a molecular weight of 235.19 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazol-3-amine is sourced from PubChem (CID 114450068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).