2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide

C19H19N3O3S2 — CID 4054612

IUPAC2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESCCOc1ccc2nc(SCC(=O)NN=C(C)c3ccccc3O)sc2c1
InChIInChI=1S/C19H19N3O3S2/c1-3-25-13-8-9-15-17(10-13)27-19(20-15)26-11-18(24)22-21-12(2)14-6-4-5-7-16(14)23/h4-10,23H,3,11H2,1-2H3,(H,22,24)
InChIKeyXKKCGZWEDTUAQL-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.03
Rot. Bonds7

About 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide

2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 4054612) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID4054612
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESCCOc1ccc2nc(SCC(=O)NN=C(C)c3ccccc3O)sc2c1
InChIInChI=1S/C19H19N3O3S2/c1-3-25-13-8-9-15-17(10-13)27-19(20-15)26-11-18(24)22-21-12(2)14-6-4-5-7-16(14)23/h4-10,23H,3,11H2,1-2H3,(H,22,24)
InChIKeyXKKCGZWEDTUAQL-UHFFFAOYSA-N
XLogP4.03
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]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-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 23880354
N-(3,5-dimethoxyphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 23847341
N-(4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 3657089
4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 1321404
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2417617
N-(2-benzoyl-4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 2390842
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 1388068
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N'-[4-[4-[2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]hydrazinyl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]acetohydrazide
CID 17325085
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide
CID 7463335
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]acetamide
CID 9358699
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]acetamide
CID 135953187
N-(3-chloro-4-fluorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 1379221

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide (CID 4054612) is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide is CCOc1ccc2nc(SCC(=O)NN=C(C)c3ccccc3O)sc2c1.
What is the InChIKey of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is XKKCGZWEDTUAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-3-25-13-8-9-15-17(10-13)27-19(20-15)26-11-18(24)22-21-12(2)14-6-4-5-7-16(14)23/h4-10,23H,3,11H2,1-2H3,(H,22,24).
What are the key properties of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 4054612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).