5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine

C18H19FN4OS — CID 133456278

About 5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine

5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133456278) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 133456278
• Molecular Formula: C18H19FN4OS
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.13
• IUPAC Name: 5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
• SMILES: CC(C)Oc1ccc(CNc2nnc(Cc3ccc(F)cc3)s2)cn1
• InChI: InChI=1S/C18H19FN4OS/c1-12(2)24-16-8-5-14(10-20-16)11-21-18-23-22-17(25-18)9-13-3-6-15(19)7-4-13/h3-8,10,12H,9,11H2,1-2H3,(H,21,23)
• InChIKey: ZAFASEYOAXWFCG-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 59.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (CID 133456278) is 5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is CC(C)Oc1ccc(CNc2nnc(Cc3ccc(F)cc3)s2)cn1.

What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?

The InChIKey is ZAFASEYOAXWFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-12(2)24-16-8-5-14(10-20-16)11-21-18-23-22-17(25-18)9-13-3-6-15(19)7-4-13/h3-8,10,12H,9,11H2,1-2H3,(H,21,23).

What are the key properties of 5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?

5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 358.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133456278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).