1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine

C7H5F3N4S — CID 176658928

IUPAC1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2nccs2)c1C(F)(F)F
InChIInChI=1S/C7H5F3N4S/c8-7(9,10)5-4(11)3-13-14(5)6-12-1-2-15-6/h1-3H,11H2
InChIKeyMUBVNWUBFKXNGA-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.93
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine

1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 176658928) has the molecular formula C7H5F3N4S and a molecular weight of 234.21 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID176658928
Molecular FormulaC7H5F3N4S
Molecular Weight234.21 g/mol
Exact Mass234.02
IUPAC Name1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2nccs2)c1C(F)(F)F
InChIInChI=1S/C7H5F3N4S/c8-7(9,10)5-4(11)3-13-14(5)6-12-1-2-15-6/h1-3H,11H2
InChIKeyMUBVNWUBFKXNGA-UHFFFAOYSA-N
XLogP1.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine (CID 176658928) is 1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine is Nc1cnn(-c2nccs2)c1C(F)(F)F.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is MUBVNWUBFKXNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4S/c8-7(9,10)5-4(11)3-13-14(5)6-12-1-2-15-6/h1-3H,11H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine?
1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 234.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 176658928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).