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

C15H27N5O2S — CID 111533197

IUPAC2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCOC)NCCc1ncc(CC)s1
InChIInChI=1S/C15H27N5O2S/c1-4-12-10-19-14(23-12)6-7-18-15(16-5-2)20-11-13(21)17-8-9-22-3/h10H,4-9,11H2,1-3H3,(H,17,21)(H2,16,18,20)
InChIKeyYDNYLPNVFDNCDW-UHFFFAOYSA-N
MW341.48 g/mol
LogP0.57
Rot. Bonds10

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

2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 111533197) has the molecular formula C15H27N5O2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
PubChem CID111533197
Molecular FormulaC15H27N5O2S
Molecular Weight341.48 g/mol
Exact Mass341.19
IUPAC Name2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCOC)NCCc1ncc(CC)s1
InChIInChI=1S/C15H27N5O2S/c1-4-12-10-19-14(23-12)6-7-18-15(16-5-2)20-11-13(21)17-8-9-22-3/h10H,4-9,11H2,1-3H3,(H,17,21)(H2,16,18,20)
InChIKeyYDNYLPNVFDNCDW-UHFFFAOYSA-N
XLogP0.57
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.57
H-Bond Donors ≤ 53
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-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide (CID 111533197) is 2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide is CCN/C(=N\CC(=O)NCCOC)NCCc1ncc(CC)s1.
What is the InChIKey of 2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is YDNYLPNVFDNCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2S/c1-4-12-10-19-14(23-12)6-7-18-15(16-5-2)20-11-13(21)17-8-9-22-3/h10H,4-9,11H2,1-3H3,(H,17,21)(H2,16,18,20).
What are the key properties of 2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 0.57, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 111533197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).