N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide

C19H27N5O2S — CID 109423708

IUPACN-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide
SMILESCCN/C(=N\CCOc1cccc(NC(C)=O)c1)N(C)Cc1csc(C)n1
InChIInChI=1S/C19H27N5O2S/c1-5-20-19(24(4)12-17-13-27-15(3)23-17)21-9-10-26-18-8-6-7-16(11-18)22-14(2)25/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,20,21)(H,22,25)
InChIKeyVVYVJNGQAQFWPA-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.89
Rot. Bonds8

About N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide

N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide (PubChem CID 109423708) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide
PubChem CID109423708
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide
SMILESCCN/C(=N\CCOc1cccc(NC(C)=O)c1)N(C)Cc1csc(C)n1
InChIInChI=1S/C19H27N5O2S/c1-5-20-19(24(4)12-17-13-27-15(3)23-17)21-9-10-26-18-8-6-7-16(11-18)22-14(2)25/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,20,21)(H,22,25)
InChIKeyVVYVJNGQAQFWPA-UHFFFAOYSA-N
XLogP2.89
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.89
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'}

Analyze N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

3-ethyl-1-methyl-2-[2-(3-methylphenoxy)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109421276
3-ethyl-1-methyl-2-[2-(3-methylphenoxy)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109421275
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-phenoxyethyl)guanidine;hydroiodide
CID 109423751
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylguanidine
CID 109423768
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-phenylmethoxyethyl)guanidine
CID 109423636
3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 109421182
3-ethyl-2-[3-(3-methoxyphenyl)propyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109425273
2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 109424355
3-ethyl-1-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423121
2-[2-(2-ethoxyphenyl)ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109425269
2-[2-(benzenesulfonyl)ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423193
3-ethyl-1-methyl-2-[2-(2-methylsulfonylethoxy)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109421849

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide?
The IUPAC name of N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide (CID 109423708) is N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide is CCN/C(=N\CCOc1cccc(NC(C)=O)c1)N(C)Cc1csc(C)n1.
What is the InChIKey of N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide?
The InChIKey is VVYVJNGQAQFWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-5-20-19(24(4)12-17-13-27-15(3)23-17)21-9-10-26-18-8-6-7-16(11-18)22-14(2)25/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,20,21)(H,22,25).
What are the key properties of N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide?
N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide has a molecular weight of 389.53 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide is sourced from PubChem (CID 109423708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).