N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide

C18H32IN5O2S — CID 110034820

About N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 110034820) has the molecular formula C18H32IN5O2S and a molecular weight of 509.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
• PubChem CID: 110034820
• Molecular Formula: C18H32IN5O2S
• Molecular Weight: 509.46 g/mol
• Exact Mass: 509.13
• IUPAC Name: N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
• SMILES: Cc1cnc(C(C)CN/C(=N\CC(=O)N(C)C)NCC2CCCCO2)s1.I
• InChI: InChI=1S/C18H31N5O2S.HI/c1-13(17-19-10-14(2)26-17)9-20-18(22-12-16(24)23(3)4)21-11-15-7-5-6-8-25-15;/h10,13,15H,5-9,11-12H2,1-4H3,(H2,20,21,22);1H
• InChIKey: UQKZOVZUVWMGMJ-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 78.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.46
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide?

The IUPAC name of N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide (CID 110034820) is N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide.

What is the SMILES notation for N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide?

The canonical SMILES for N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide is Cc1cnc(C(C)CN/C(=N\CC(=O)N(C)C)NCC2CCCCO2)s1.I.

What is the InChIKey of N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide?

The InChIKey is UQKZOVZUVWMGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2S.HI/c1-13(17-19-10-14(2)26-17)9-20-18(22-12-16(24)23(3)4)21-11-15-7-5-6-8-25-15;/h10,13,15H,5-9,11-12H2,1-4H3,(H2,20,21,22);1H.

What are the key properties of N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide?

N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 509.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110034820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).