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

C7H6F3N5S — CID 80624169

IUPAC[5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(-n2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C7H6F3N5S/c8-7(9,10)4-2-12-15(3-4)6-14-13-5(1-11)16-6/h2-3H,1,11H2
InChIKeyJNOVGXVQMMBSDZ-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.20
Rot. Bonds2

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

[5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 80624169) has the molecular formula C7H6F3N5S and a molecular weight of 249.22 g/mol. Its IUPAC name is [5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID80624169
Molecular FormulaC7H6F3N5S
Molecular Weight249.22 g/mol
Exact Mass249.03
IUPAC Name[5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(-n2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C7H6F3N5S/c8-7(9,10)4-2-12-15(3-4)6-14-13-5(1-11)16-6/h2-3H,1,11H2
InChIKeyJNOVGXVQMMBSDZ-UHFFFAOYSA-N
XLogP1.20
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine (CID 80624169) is [5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine is NCc1nnc(-n2cc(C(F)(F)F)cn2)s1.
What is the InChIKey of [5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is JNOVGXVQMMBSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5S/c8-7(9,10)4-2-12-15(3-4)6-14-13-5(1-11)16-6/h2-3H,1,11H2.
What are the key properties of [5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine?
[5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 249.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 80624169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).