N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C7H6F3N5S — CID 107305017

IUPACN-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCc2cnc[nH]2)n1
InChIInChI=1S/C7H6F3N5S/c8-7(9,10)5-14-6(16-15-5)12-2-4-1-11-3-13-4/h1,3H,2H2,(H,11,13)(H,12,14,15)
InChIKeyLHYPNFVUUONFEM-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.89
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305017) has the molecular formula C7H6F3N5S and a molecular weight of 249.22 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305017
Molecular FormulaC7H6F3N5S
Molecular Weight249.22 g/mol
Exact Mass249.03
IUPAC NameN-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCc2cnc[nH]2)n1
InChIInChI=1S/C7H6F3N5S/c8-7(9,10)5-14-6(16-15-5)12-2-4-1-11-3-13-4/h1,3H,2H2,(H,11,13)(H,12,14,15)
InChIKeyLHYPNFVUUONFEM-UHFFFAOYSA-N
XLogP1.89
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305017) is N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCc2cnc[nH]2)n1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LHYPNFVUUONFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5S/c8-7(9,10)5-14-6(16-15-5)12-2-4-1-11-3-13-4/h1,3H,2H2,(H,11,13)(H,12,14,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 249.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).