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

C₁₅H₂₆N₂S — CID 61332915

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 61332915) has the molecular formula C₁₅H₂₆N₂S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

• Compound Name: 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine
• PubChem CID: 61332915
• Molecular Formula: C₁₅H₂₆N₂S
• Molecular Weight: 266.45 g/mol
• Exact Mass: 266.18
• IUPAC Name: 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine
• SMILES: CCCC1CCC(NC)(c2nc(C)c(C)s2)CC1
• InChI: InChI=1S/C15H26N2S/c1-5-6-13-7-9-15(16-4,10-8-13)14-17-11(2)12(3)18-14/h13,16H,5-10H2,1-4H3
• InChIKey: HDVYHMRZSPWHSH-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.45
LogP ≤ 5	4.16
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-methyl-4-propylcyclohexan-1-amine?

The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine (CID 61332915) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine.

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

The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)(c2nc(C)c(C)s2)CC1.

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

The InChIKey is HDVYHMRZSPWHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-6-13-7-9-15(16-4,10-8-13)14-17-11(2)12(3)18-14/h13,16H,5-10H2,1-4H3.

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.16, 4 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-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 61332915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61332915 — identifiers, structure, computed properties (public domain)

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