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

C9H5F4N3S — CID 2730012

IUPACN-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C9H5F4N3S/c10-5-1-3-6(4-2-5)14-8-16-15-7(17-8)9(11,12)13/h1-4H,(H,14,16)
InChIKeyRMPHLHTWKSAGOP-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.44
Rot. Bonds2

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

N-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 2730012) has the molecular formula C9H5F4N3S and a molecular weight of 263.22 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID2730012
Molecular FormulaC9H5F4N3S
Molecular Weight263.22 g/mol
Exact Mass263.01
IUPAC NameN-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C9H5F4N3S/c10-5-1-3-6(4-2-5)14-8-16-15-7(17-8)9(11,12)13/h1-4H,(H,14,16)
InChIKeyRMPHLHTWKSAGOP-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 2730012) is N-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Fc1ccc(Nc2nnc(C(F)(F)F)s2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is RMPHLHTWKSAGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F4N3S/c10-5-1-3-6(4-2-5)14-8-16-15-7(17-8)9(11,12)13/h1-4H,(H,14,16).
What are the key properties of N-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 263.22 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2730012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).