1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine

C₁₁H₁₈N₂S — CID 130554851

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine (PubChem CID 130554851) has the molecular formula C₁₁H₁₈N₂S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

• Compound Name: 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine
• PubChem CID: 130554851
• Molecular Formula: C₁₁H₁₈N₂S
• Molecular Weight: 210.35 g/mol
• Exact Mass: 210.12
• IUPAC Name: 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine
• SMILES: CNC1(c2nc(C)c(C)s2)CCC1C
• InChI: InChI=1S/C11H18N2S/c1-7-5-6-11(7,12-4)10-13-8(2)9(3)14-10/h7,12H,5-6H2,1-4H3
• InChIKey: MVSHEQNNPMFYTR-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.35
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine (CID 130554851) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine.

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

The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine is CNC1(c2nc(C)c(C)s2)CCC1C.

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

The InChIKey is MVSHEQNNPMFYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-7-5-6-11(7,12-4)10-13-8(2)9(3)14-10/h7,12H,5-6H2,1-4H3.

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 130554851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130554851 — identifiers, structure, computed properties (public domain)

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