4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine

C₂₁H₁₉N₅S — CID 155562365

About 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine

4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine (PubChem CID 155562365) has the molecular formula C₂₁H₁₉N₅S and a molecular weight of 373.49 g/mol. Its IUPAC name is 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
• PubChem CID: 155562365
• Molecular Formula: C₂₁H₁₉N₅S
• Molecular Weight: 373.49 g/mol
• Exact Mass: 373.14
• IUPAC Name: 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
• SMILES: NC(Cc1ccccc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1
• InChI: InChI=1S/C21H19N5S/c22-17(13-15-7-3-1-4-8-15)19-14-27-21(23-19)24-20-12-11-18(25-26-20)16-9-5-2-6-10-16/h1-12,14,17H,13,22H2,(H,23,24,26)
• InChIKey: DMDHKVVKZXBEFF-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 76.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.49
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?

The IUPAC name of 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine (CID 155562365) is 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine.

What is the SMILES notation for 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?

The canonical SMILES for 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine is NC(Cc1ccccc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1.

What is the InChIKey of 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?

The InChIKey is DMDHKVVKZXBEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5S/c22-17(13-15-7-3-1-4-8-15)19-14-27-21(23-19)24-20-12-11-18(25-26-20)16-9-5-2-6-10-16/h1-12,14,17H,13,22H2,(H,23,24,26).

What are the key properties of 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?

4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 373.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155562365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155562365 — identifiers, structure, computed properties (public domain)

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