2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide

C20H21N5O3S — CID 6883669

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
SMILESCc1ccccc1OCCOc1cccc(/C=N/NC(=O)Cc2nnc(N)s2)c1
InChIInChI=1S/C20H21N5O3S/c1-14-5-2-3-8-17(14)28-10-9-27-16-7-4-6-15(11-16)13-22-23-18(26)12-19-24-25-20(21)29-19/h2-8,11,13H,9-10,12H2,1H3,(H2,21,25)(H,23,26)/b22-13+
InChIKeyGMTLMFNSJNJIFF-LPYMAVHISA-N
MW411.49 g/mol
LogP2.58
Rot. Bonds9

About 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide (PubChem CID 6883669) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
PubChem CID6883669
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
SMILESCc1ccccc1OCCOc1cccc(/C=N/NC(=O)Cc2nnc(N)s2)c1
InChIInChI=1S/C20H21N5O3S/c1-14-5-2-3-8-17(14)28-10-9-27-16-7-4-6-15(11-16)13-22-23-18(26)12-19-24-25-20(21)29-19/h2-8,11,13H,9-10,12H2,1H3,(H2,21,25)(H,23,26)/b22-13+
InChIKeyGMTLMFNSJNJIFF-LPYMAVHISA-N
XLogP2.58
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]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

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 6883762
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 714368
N-[[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 3786549
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-bromo-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 6881380
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 3742199
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6875423
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[2-(4-tert-butylphenoxy)ethoxy]-3,5-dichlorophenyl]methylideneamino]acetamide
CID 6881785
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[3-ethoxy-4-(2-naphthalen-1-ylsulfanylethoxy)phenyl]methylideneamino]acetamide
CID 4195609
N-[5-[2-[2-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3748682
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 1419519
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 44537677
2-methyl-N-[5-[2-[2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3695897

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide (CID 6883669) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide is Cc1ccccc1OCCOc1cccc(/C=N/NC(=O)Cc2nnc(N)s2)c1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The InChIKey is GMTLMFNSJNJIFF-LPYMAVHISA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-14-5-2-3-8-17(14)28-10-9-27-16-7-4-6-15(11-16)13-22-23-18(26)12-19-24-25-20(21)29-19/h2-8,11,13H,9-10,12H2,1H3,(H2,21,25)(H,23,26)/b22-13+.
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide has a molecular weight of 411.49 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 6883669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).