5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine

C19H19FN4S — CID 135347382

IUPAC5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(C2CCN(c3ccccc3-c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C19H19FN4S/c20-15-7-5-13(6-8-15)16-3-1-2-4-17(16)24-11-9-14(10-12-24)18-22-23-19(21)25-18/h1-8,14H,9-12H2,(H2,21,23)
InChIKeyGLQVAGSWWNVKNU-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.31
Rot. Bonds3

About 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine

5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 135347382) has the molecular formula C19H19FN4S and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID135347382
Molecular FormulaC19H19FN4S
Molecular Weight354.45 g/mol
Exact Mass354.13
IUPAC Name5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(C2CCN(c3ccccc3-c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C19H19FN4S/c20-15-7-5-13(6-8-15)16-3-1-2-4-17(16)24-11-9-14(10-12-24)18-22-23-19(21)25-18/h1-8,14H,9-12H2,(H2,21,23)
InChIKeyGLQVAGSWWNVKNU-UHFFFAOYSA-N
XLogP4.31
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine (CID 135347382) is 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine is Nc1nnc(C2CCN(c3ccccc3-c3ccc(F)cc3)CC2)s1.
What is the InChIKey of 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GLQVAGSWWNVKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4S/c20-15-7-5-13(6-8-15)16-3-1-2-4-17(16)24-11-9-14(10-12-24)18-22-23-19(21)25-18/h1-8,14H,9-12H2,(H2,21,23).
What are the key properties of 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine?
5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 354.45 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 135347382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).