(2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide

C19H26N4O3S — CID 162729222

IUPAC(2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
SMILESCCc1cnc(C(C)NOCc2c(C)cccc2/C(=N\OC)C(=O)NC)s1
InChIInChI=1S/C19H26N4O3S/c1-6-14-10-21-19(27-14)13(3)22-26-11-16-12(2)8-7-9-15(16)17(23-25-5)18(24)20-4/h7-10,13,22H,6,11H2,1-5H3,(H,20,24)/b23-17+
InChIKeyYXXAONZDXSFCFL-HAVVHWLPSA-N
MW390.51 g/mol
LogP2.89
Rot. Bonds9

About (2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide

(2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 162729222) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is (2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
PubChem CID162729222
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name(2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
SMILESCCc1cnc(C(C)NOCc2c(C)cccc2/C(=N\OC)C(=O)NC)s1
InChIInChI=1S/C19H26N4O3S/c1-6-14-10-21-19(27-14)13(3)22-26-11-16-12(2)8-7-9-15(16)17(23-25-5)18(24)20-4/h7-10,13,22H,6,11H2,1-5H3,(H,20,24)/b23-17+
InChIKeyYXXAONZDXSFCFL-HAVVHWLPSA-N
XLogP2.89
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide (CID 162729222) is (2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide is CCc1cnc(C(C)NOCc2c(C)cccc2/C(=N\OC)C(=O)NC)s1.
What is the InChIKey of (2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is YXXAONZDXSFCFL-HAVVHWLPSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-6-14-10-21-19(27-14)13(3)22-26-11-16-12(2)8-7-9-15(16)17(23-25-5)18(24)20-4/h7-10,13,22H,6,11H2,1-5H3,(H,20,24)/b23-17+.
What are the key properties of (2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide?
(2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 390.51 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 162729222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).