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

C5H6F3N3S — CID 13229757

IUPACN-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H6F3N3S/c1-2-9-4-11-10-3(12-4)5(6,7)8/h2H2,1H3,(H,9,11)
InChIKeyWZOUNHDKHKURDW-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.99
Rot. Bonds2

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

N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 13229757) has the molecular formula C5H6F3N3S and a molecular weight of 197.18 g/mol. Its IUPAC name is N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID13229757
Molecular FormulaC5H6F3N3S
Molecular Weight197.18 g/mol
Exact Mass197.02
IUPAC NameN-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H6F3N3S/c1-2-9-4-11-10-3(12-4)5(6,7)8/h2H2,1H3,(H,9,11)
InChIKeyWZOUNHDKHKURDW-UHFFFAOYSA-N
XLogP1.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 13229757) is N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WZOUNHDKHKURDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c1-2-9-4-11-10-3(12-4)5(6,7)8/h2H2,1H3,(H,9,11).
What are the key properties of N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 197.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 13229757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).