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

C8H8F3N5S — CID 138056947

IUPACN-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCc2ccn[nH]2)n1
InChIInChI=1S/C8H8F3N5S/c9-8(10,11)6-14-7(17-16-6)12-3-1-5-2-4-13-15-5/h2,4H,1,3H2,(H,13,15)(H,12,14,16)
InChIKeyBZQJYWIDMRFWGW-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.93
Rot. Bonds4

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

N-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 138056947) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is N-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID138056947
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC NameN-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCc2ccn[nH]2)n1
InChIInChI=1S/C8H8F3N5S/c9-8(10,11)6-14-7(17-16-6)12-3-1-5-2-4-13-15-5/h2,4H,1,3H2,(H,13,15)(H,12,14,16)
InChIKeyBZQJYWIDMRFWGW-UHFFFAOYSA-N
XLogP1.93
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 138056947) is N-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCc2ccn[nH]2)n1.
What is the InChIKey of N-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BZQJYWIDMRFWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5S/c9-8(10,11)6-14-7(17-16-6)12-3-1-5-2-4-13-15-5/h2,4H,1,3H2,(H,13,15)(H,12,14,16).
What are the key properties of N-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 263.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 138056947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).