N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine

C₇H₅Cl₂N₅S — CID 88588890

About N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine

N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 88588890) has the molecular formula C₇H₅Cl₂N₅S and a molecular weight of 262.12 g/mol. Its IUPAC name is N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine
• PubChem CID: 88588890
• Molecular Formula: C₇H₅Cl₂N₅S
• Molecular Weight: 262.12 g/mol
• Exact Mass: 260.96
• IUPAC Name: N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine
• SMILES: Cc1cnc(Nc2nc(Cl)nc(Cl)n2)s1
• InChI: InChI=1S/C7H5Cl2N5S/c1-3-2-10-7(15-3)14-6-12-4(8)11-5(9)13-6/h2H,1H3,(H,10,11,12,13,14)
• InChIKey: CDKOCDOIIZOERP-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.12
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine?

The IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine (CID 88588890) is N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine?

The canonical SMILES for N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine is Cc1cnc(Nc2nc(Cl)nc(Cl)n2)s1.

What is the InChIKey of N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine?

The InChIKey is CDKOCDOIIZOERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N5S/c1-3-2-10-7(15-3)14-6-12-4(8)11-5(9)13-6/h2H,1H3,(H,10,11,12,13,14).

What are the key properties of N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine?

N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 262.12 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 88588890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 88588890 — identifiers, structure, computed properties (public domain)

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