2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline

C14H12Cl3N3S — CID 43625869

About 2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline

2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (PubChem CID 43625869) has the molecular formula C14H12Cl3N3S and a molecular weight of 360.70 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.

Molecular Properties

• Compound Name: 2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
• PubChem CID: 43625869
• Molecular Formula: C14H12Cl3N3S
• Molecular Weight: 360.70 g/mol
• Exact Mass: 358.98
• IUPAC Name: 2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
• SMILES: Cc1cn2c(CNc3c(Cl)cc(Cl)cc3Cl)c(C)nc2s1
• InChI: InChI=1S/C14H12Cl3N3S/c1-7-6-20-12(8(2)19-14(20)21-7)5-18-13-10(16)3-9(15)4-11(13)17/h3-4,6,18H,5H2,1-2H3
• InChIKey: XIXRZQDLBNLEBS-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 29.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.70
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?

The IUPAC name of 2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (CID 43625869) is 2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.

What is the SMILES notation for 2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?

The canonical SMILES for 2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is Cc1cn2c(CNc3c(Cl)cc(Cl)cc3Cl)c(C)nc2s1.

What is the InChIKey of 2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?

The InChIKey is XIXRZQDLBNLEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N3S/c1-7-6-20-12(8(2)19-14(20)21-7)5-18-13-10(16)3-9(15)4-11(13)17/h3-4,6,18H,5H2,1-2H3.

What are the key properties of 2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?

2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline has a molecular weight of 360.70 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 43625869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).