1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine

C₁₃H₁₅BrN₂S — CID 61332321

About 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine

1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine (PubChem CID 61332321) has the molecular formula C₁₃H₁₅BrN₂S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
• PubChem CID: 61332321
• Molecular Formula: C₁₃H₁₅BrN₂S
• Molecular Weight: 311.25 g/mol
• Exact Mass: 310.01
• IUPAC Name: 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
• SMILES: CNC(c1cccc(Br)c1)c1nc(C)c(C)s1
• InChI: InChI=1S/C13H15BrN2S/c1-8-9(2)17-13(16-8)12(15-3)10-5-4-6-11(14)7-10/h4-7,12,15H,1-3H3
• InChIKey: FSTSDXKWALUMIL-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.25
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine?

The IUPAC name of 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine (CID 61332321) is 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine.

What is the SMILES notation for 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine?

The canonical SMILES for 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine is CNC(c1cccc(Br)c1)c1nc(C)c(C)s1.

What is the InChIKey of 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine?

The InChIKey is FSTSDXKWALUMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-8-9(2)17-13(16-8)12(15-3)10-5-4-6-11(14)7-10/h4-7,12,15H,1-3H3.

What are the key properties of 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine?

1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 61332321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61332321 — identifiers, structure, computed properties (public domain)

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