N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C6H6F3N3S — CID 83884249

IUPACN-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NC2CC2)s1
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)4-11-12-5(13-4)10-3-1-2-3/h3H,1-2H2,(H,10,12)
InChIKeyJBFGPCHSXHEVEU-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.13
Rot. Bonds2

About N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 83884249) has the molecular formula C6H6F3N3S and a molecular weight of 209.20 g/mol. Its IUPAC name is N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID83884249
Molecular FormulaC6H6F3N3S
Molecular Weight209.20 g/mol
Exact Mass209.02
IUPAC NameN-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NC2CC2)s1
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)4-11-12-5(13-4)10-3-1-2-3/h3H,1-2H2,(H,10,12)
InChIKeyJBFGPCHSXHEVEU-UHFFFAOYSA-N
XLogP2.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 83884249) is N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JBFGPCHSXHEVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3S/c7-6(8,9)4-11-12-5(13-4)10-3-1-2-3/h3H,1-2H2,(H,10,12).
What are the key properties of N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 209.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 83884249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).