N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine

C₁₂H₈ClN₅S — CID 122192412

About N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine

N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine (PubChem CID 122192412) has the molecular formula C₁₂H₈ClN₅S and a molecular weight of 289.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine
• PubChem CID: 122192412
• Molecular Formula: C₁₂H₈ClN₅S
• Molecular Weight: 289.75 g/mol
• Exact Mass: 289.02
• IUPAC Name: N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine
• SMILES: Clc1ccc(Nc2nc(-c3cccnn3)cs2)nc1
• InChI: InChI=1S/C12H8ClN5S/c13-8-3-4-11(14-6-8)17-12-16-10(7-19-12)9-2-1-5-15-18-9/h1-7H,(H,14,16,17)
• InChIKey: FKZNSIHOSQHFPQ-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.75
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine?

The IUPAC name of N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine (CID 122192412) is N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine is Clc1ccc(Nc2nc(-c3cccnn3)cs2)nc1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine?

The InChIKey is FKZNSIHOSQHFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5S/c13-8-3-4-11(14-6-8)17-12-16-10(7-19-12)9-2-1-5-15-18-9/h1-7H,(H,14,16,17).

What are the key properties of N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine?

N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine has a molecular weight of 289.75 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 122192412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122192412 — identifiers, structure, computed properties (public domain)

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