2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide

C19H34N6OS — CID 110034817

About 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110034817) has the molecular formula C19H34N6OS and a molecular weight of 394.59 g/mol. Its IUPAC name is 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
• PubChem CID: 110034817
• Molecular Formula: C19H34N6OS
• Molecular Weight: 394.59 g/mol
• Exact Mass: 394.25
• IUPAC Name: 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
• SMILES: CCN1CCCC1CN/C(=N/CC(=O)N(C)C)NCC(C)c1ncc(C)s1
• InChI: InChI=1S/C19H34N6OS/c1-6-25-9-7-8-16(25)12-22-19(23-13-17(26)24(4)5)21-10-14(2)18-20-11-15(3)27-18/h11,14,16H,6-10,12-13H2,1-5H3,(H2,21,22,23)
• InChIKey: IBSJHVQYCZIDIC-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 72.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.59
LogP ≤ 5	1.66
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'}

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide?

The IUPAC name of 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide (CID 110034817) is 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide is CCN1CCCC1CN/C(=N/CC(=O)N(C)C)NCC(C)c1ncc(C)s1.

What is the InChIKey of 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide?

The InChIKey is IBSJHVQYCZIDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6OS/c1-6-25-9-7-8-16(25)12-22-19(23-13-17(26)24(4)5)21-10-14(2)18-20-11-15(3)27-18/h11,14,16H,6-10,12-13H2,1-5H3,(H2,21,22,23).

What are the key properties of 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide?

2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 394.59 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110034817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).