2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

C17H15N3O2S2 — CID 6871209

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H15N3O2S2/c1-22-13-8-6-12(7-9-13)10-18-20-16(21)11-23-17-19-14-4-2-3-5-15(14)24-17/h2-10H,11H2,1H3,(H,20,21)/b18-10+
InChIKeyZHWOZHUDZLEPIT-VCHYOVAHSA-N
MW357.46 g/mol
LogP3.55
Rot. Bonds6

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 6871209) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID6871209
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H15N3O2S2/c1-22-13-8-6-12(7-9-13)10-18-20-16(21)11-23-17-19-14-4-2-3-5-15(14)24-17/h2-10H,11H2,1H3,(H,20,21)/b18-10+
InChIKeyZHWOZHUDZLEPIT-VCHYOVAHSA-N
XLogP3.55
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)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

1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidine-4-carboxamide
CID 11291973
N-(1-{2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)acetamide
CID 24901588
1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidine-4-carboxamide
CID 24901590
N-(1-{[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)acetamide
CID 24901591
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide
CID 934737
N-[(4-methoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 220696
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxybenzyl)acetamide
CID 1017224
2-(benzo[d]thiazol-2-ylthio)-1-(5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 4656795
N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]pyridine-4-carbohydrazide
CID 6883306
(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-phenylbut-3-enamide
CID 7873277
N'-{[5-(1,3-benzothiazol-2-ylsulfanyl)-2-furyl]methylene}-2-(2-methylphenoxy)acetohydrazide
CID 9618153
N'-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-2-chlorobenzohydrazide
CID 9690828

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (CID 6871209) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is ZHWOZHUDZLEPIT-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-22-13-8-6-12(7-9-13)10-18-20-16(21)11-23-17-19-14-4-2-3-5-15(14)24-17/h2-10H,11H2,1H3,(H,20,21)/b18-10+.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 357.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6871209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).