2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide

C14H25N5O2S — CID 110037211

IUPAC2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCOCCN/C(=N\CC(=O)N(C)C)NCC(C)c1nccs1
InChIInChI=1S/C14H25N5O2S/c1-11(13-15-6-8-22-13)9-17-14(16-5-7-21-4)18-10-12(20)19(2)3/h6,8,11H,5,7,9-10H2,1-4H3,(H2,16,17,18)
InChIKeyIUEYRNYWOCXESP-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.52
Rot. Bonds8

About 2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110037211) has the molecular formula C14H25N5O2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110037211
Molecular FormulaC14H25N5O2S
Molecular Weight327.45 g/mol
Exact Mass327.17
IUPAC Name2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCOCCN/C(=N\CC(=O)N(C)C)NCC(C)c1nccs1
InChIInChI=1S/C14H25N5O2S/c1-11(13-15-6-8-22-13)9-17-14(16-5-7-21-4)18-10-12(20)19(2)3/h6,8,11H,5,7,9-10H2,1-4H3,(H2,16,17,18)
InChIKeyIUEYRNYWOCXESP-UHFFFAOYSA-N
XLogP0.52
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.52
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide (CID 110037211) is 2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide is COCCN/C(=N\CC(=O)N(C)C)NCC(C)c1nccs1.
What is the InChIKey of 2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is IUEYRNYWOCXESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2S/c1-11(13-15-6-8-22-13)9-17-14(16-5-7-21-4)18-10-12(20)19(2)3/h6,8,11H,5,7,9-10H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 327.45 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxyethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110037211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).