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

C11H12F3N5S — CID 125461577

IUPAC5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCn2nc(C(F)(F)F)cc2C2CC2)s1
InChIInChI=1S/C11H12F3N5S/c12-11(13,14)8-5-7(6-1-2-6)19(18-8)4-3-9-16-17-10(15)20-9/h5-6H,1-4H2,(H2,15,17)
InChIKeyJVWUMRSJRUEPIY-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.46
Rot. Bonds4

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

5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 125461577) has the molecular formula C11H12F3N5S and a molecular weight of 303.31 g/mol. Its IUPAC name is 5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID125461577
Molecular FormulaC11H12F3N5S
Molecular Weight303.31 g/mol
Exact Mass303.08
IUPAC Name5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCn2nc(C(F)(F)F)cc2C2CC2)s1
InChIInChI=1S/C11H12F3N5S/c12-11(13,14)8-5-7(6-1-2-6)19(18-8)4-3-9-16-17-10(15)20-9/h5-6H,1-4H2,(H2,15,17)
InChIKeyJVWUMRSJRUEPIY-UHFFFAOYSA-N
XLogP2.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine (CID 125461577) is 5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CCn2nc(C(F)(F)F)cc2C2CC2)s1.
What is the InChIKey of 5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JVWUMRSJRUEPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5S/c12-11(13,14)8-5-7(6-1-2-6)19(18-8)4-3-9-16-17-10(15)20-9/h5-6H,1-4H2,(H2,15,17).
What are the key properties of 5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 303.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 125461577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).