N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C9H10F3N5S — CID 107304930

IUPACN-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)n1cc(Nc2nc(C(F)(F)F)ns2)cn1
InChIInChI=1S/C9H10F3N5S/c1-5(2)17-4-6(3-13-17)14-8-15-7(16-18-8)9(10,11)12/h3-5H,1-2H3,(H,14,15,16)
InChIKeyIVTRHEYUOGVJRX-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.08
Rot. Bonds3

About N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304930) has the molecular formula C9H10F3N5S and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304930
Molecular FormulaC9H10F3N5S
Molecular Weight277.28 g/mol
Exact Mass277.06
IUPAC NameN-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)n1cc(Nc2nc(C(F)(F)F)ns2)cn1
InChIInChI=1S/C9H10F3N5S/c1-5(2)17-4-6(3-13-17)14-8-15-7(16-18-8)9(10,11)12/h3-5H,1-2H3,(H,14,15,16)
InChIKeyIVTRHEYUOGVJRX-UHFFFAOYSA-N
XLogP3.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304930) is N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC(C)n1cc(Nc2nc(C(F)(F)F)ns2)cn1.
What is the InChIKey of N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IVTRHEYUOGVJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5S/c1-5(2)17-4-6(3-13-17)14-8-15-7(16-18-8)9(10,11)12/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 277.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).