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

C8H5F3N4S — CID 2725838

IUPACN-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(Nc2cccnc2)s1
InChIInChI=1S/C8H5F3N4S/c9-8(10,11)6-14-15-7(16-6)13-5-2-1-3-12-4-5/h1-4H,(H,13,15)
InChIKeyWAGZQPCHYZFSMP-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.70
Rot. Bonds2

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

N-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 2725838) has the molecular formula C8H5F3N4S and a molecular weight of 246.22 g/mol. Its IUPAC name is N-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID2725838
Molecular FormulaC8H5F3N4S
Molecular Weight246.22 g/mol
Exact Mass246.02
IUPAC NameN-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(Nc2cccnc2)s1
InChIInChI=1S/C8H5F3N4S/c9-8(10,11)6-14-15-7(16-6)13-5-2-1-3-12-4-5/h1-4H,(H,13,15)
InChIKeyWAGZQPCHYZFSMP-UHFFFAOYSA-N
XLogP2.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 2725838) is N-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(Nc2cccnc2)s1.
What is the InChIKey of N-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WAGZQPCHYZFSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4S/c9-8(10,11)6-14-15-7(16-6)13-5-2-1-3-12-4-5/h1-4H,(H,13,15).
What are the key properties of N-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 246.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2725838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).