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

C7H7F3N6S — CID 114168092

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(C(F)(F)F)s1)c1ncn[nH]1
InChIInChI=1S/C7H7F3N6S/c1-3(4-11-2-12-14-4)13-6-16-15-5(17-6)7(8,9)10/h2-3H,1H3,(H,13,16)(H,11,12,14)
InChIKeyVTPGNFDZTQZDFX-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.85
Rot. Bonds3

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

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114168092) has the molecular formula C7H7F3N6S and a molecular weight of 264.24 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114168092
Molecular FormulaC7H7F3N6S
Molecular Weight264.24 g/mol
Exact Mass264.04
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(C(F)(F)F)s1)c1ncn[nH]1
InChIInChI=1S/C7H7F3N6S/c1-3(4-11-2-12-14-4)13-6-16-15-5(17-6)7(8,9)10/h2-3H,1H3,(H,13,16)(H,11,12,14)
InChIKeyVTPGNFDZTQZDFX-UHFFFAOYSA-N
XLogP1.85
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114168092) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(Nc1nnc(C(F)(F)F)s1)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VTPGNFDZTQZDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N6S/c1-3(4-11-2-12-14-4)13-6-16-15-5(17-6)7(8,9)10/h2-3H,1H3,(H,13,16)(H,11,12,14).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 264.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114168092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).