5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine

C25H19FN6S — CID 67012270

IUPAC5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc(C(c3ccc(F)cc3)C(c3cccnc3)c3cccnc3)n2)s1
InChIInChI=1S/C25H19FN6S/c26-19-10-8-16(9-11-19)23(20-6-1-7-21(30-20)24-31-32-25(27)33-24)22(17-4-2-12-28-14-17)18-5-3-13-29-15-18/h1-15,22-23H,(H2,27,32)
InChIKeyDECZZKBMQWYHKU-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.08
Rot. Bonds6

About 5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine

5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine (PubChem CID 67012270) has the molecular formula C25H19FN6S and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
PubChem CID67012270
Molecular FormulaC25H19FN6S
Molecular Weight454.53 g/mol
Exact Mass454.14
IUPAC Name5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc(C(c3ccc(F)cc3)C(c3cccnc3)c3cccnc3)n2)s1
InChIInChI=1S/C25H19FN6S/c26-19-10-8-16(9-11-19)23(20-6-1-7-21(30-20)24-31-32-25(27)33-24)22(17-4-2-12-28-14-17)18-5-3-13-29-15-18/h1-15,22-23H,(H2,27,32)
InChIKeyDECZZKBMQWYHKU-UHFFFAOYSA-N
XLogP5.08
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine (CID 67012270) is 5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cccc(C(c3ccc(F)cc3)C(c3cccnc3)c3cccnc3)n2)s1.
What is the InChIKey of 5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DECZZKBMQWYHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6S/c26-19-10-8-16(9-11-19)23(20-6-1-7-21(30-20)24-31-32-25(27)33-24)22(17-4-2-12-28-14-17)18-5-3-13-29-15-18/h1-15,22-23H,(H2,27,32).
What are the key properties of 5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 454.53 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 67012270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).