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

C9H10F3N5S — CID 100738050

IUPACN-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESC[C@H](Cn1cccn1)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H10F3N5S/c1-6(5-17-4-2-3-13-17)14-8-15-7(16-18-8)9(10,11)12/h2-4,6H,5H2,1H3,(H,14,15,16)/t6-/m1/s1
InChIKeyASROKDJSIZZSPJ-ZCFIWIBFSA-N
MW277.28 g/mol
LogP2.25
Rot. Bonds4

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

N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 100738050) has the molecular formula C9H10F3N5S and a molecular weight of 277.28 g/mol. Its IUPAC name is N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID100738050
Molecular FormulaC9H10F3N5S
Molecular Weight277.28 g/mol
Exact Mass277.06
IUPAC NameN-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESC[C@H](Cn1cccn1)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H10F3N5S/c1-6(5-17-4-2-3-13-17)14-8-15-7(16-18-8)9(10,11)12/h2-4,6H,5H2,1H3,(H,14,15,16)/t6-/m1/s1
InChIKeyASROKDJSIZZSPJ-ZCFIWIBFSA-N
XLogP2.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 100738050) is N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is C[C@H](Cn1cccn1)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ASROKDJSIZZSPJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10F3N5S/c1-6(5-17-4-2-3-13-17)14-8-15-7(16-18-8)9(10,11)12/h2-4,6H,5H2,1H3,(H,14,15,16)/t6-/m1/s1.
What are the key properties of N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 277.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 100738050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).