2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide

C17H31N5O2S — CID 111517372

IUPAC2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCOCCCN/C(=N\CC(=O)N(C)C)NCCc1ncc(CC)s1
InChIInChI=1S/C17H31N5O2S/c1-5-14-12-20-15(25-14)8-10-19-17(18-9-7-11-24-6-2)21-13-16(23)22(3)4/h12H,5-11,13H2,1-4H3,(H2,18,19,21)
InChIKeyMMTAMZNSKDTVEX-UHFFFAOYSA-N
MW369.54 g/mol
LogP1.30
Rot. Bonds11

About 2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111517372) has the molecular formula C17H31N5O2S and a molecular weight of 369.54 g/mol. Its IUPAC name is 2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111517372
Molecular FormulaC17H31N5O2S
Molecular Weight369.54 g/mol
Exact Mass369.22
IUPAC Name2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCOCCCN/C(=N\CC(=O)N(C)C)NCCc1ncc(CC)s1
InChIInChI=1S/C17H31N5O2S/c1-5-14-12-20-15(25-14)8-10-19-17(18-9-7-11-24-6-2)21-13-16(23)22(3)4/h12H,5-11,13H2,1-4H3,(H2,18,19,21)
InChIKeyMMTAMZNSKDTVEX-UHFFFAOYSA-N
XLogP1.30
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111512812
2-[[ethylamino-[(5-ethyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111517398
2-[[[2-(6-chloro-3-pyridinyl)ethylamino]-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033973
N-ethyl-2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111531806
2-[[ethylamino-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111796881
3-[[N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111532358
2-[[(4-ethoxybutylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111863155
2-[[(3-ethoxypropylamino)-(3-phenoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111363796
2-[[(3-ethoxypropylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975876
2-[[[2-(3,4-diethoxyphenyl)ethylamino]-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111246081
2-(3-ethoxypropyl)-1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111516802
2-[[(3-ethoxypropylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110047862

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (CID 111517372) is 2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is CCOCCCN/C(=N\CC(=O)N(C)C)NCCc1ncc(CC)s1.
What is the InChIKey of 2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is MMTAMZNSKDTVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2S/c1-5-14-12-20-15(25-14)8-10-19-17(18-9-7-11-24-6-2)21-13-16(23)22(3)4/h12H,5-11,13H2,1-4H3,(H2,18,19,21).
What are the key properties of 2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 369.54 g/mol, XLogP of 1.30, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxypropylamino)-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111517372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).