5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine

C₁₂H₁₃BrN₂S — CID 116864382

About 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine

5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine (PubChem CID 116864382) has the molecular formula C₁₂H₁₃BrN₂S and a molecular weight of 297.22 g/mol. Its IUPAC name is 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine.

Molecular Properties

• Compound Name: 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
• PubChem CID: 116864382
• Molecular Formula: C₁₂H₁₃BrN₂S
• Molecular Weight: 297.22 g/mol
• Exact Mass: 296.00
• IUPAC Name: 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
• SMILES: Cc1ccc(-c2nc(N)c(Br)s2)c(C)c1C
• InChI: InChI=1S/C12H13BrN2S/c1-6-4-5-9(8(3)7(6)2)12-15-11(14)10(13)16-12/h4-5H,14H2,1-3H3
• InChIKey: PRPDYBVMIJBXDC-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 38.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.22
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine?

The IUPAC name of 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine (CID 116864382) is 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine.

What is the SMILES notation for 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine?

The canonical SMILES for 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine is Cc1ccc(-c2nc(N)c(Br)s2)c(C)c1C.

What is the InChIKey of 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine?

The InChIKey is PRPDYBVMIJBXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-6-4-5-9(8(3)7(6)2)12-15-11(14)10(13)16-12/h4-5H,14H2,1-3H3.

What are the key properties of 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine?

5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine has a molecular weight of 297.22 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 116864382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116864382 — identifiers, structure, computed properties (public domain)

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