N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide

C18H16N4O4S — CID 3692381

IUPACN-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(C=NNC(=O)C(=O)Nc2nc3ccccc3s2)c(OC)c1
InChIInChI=1S/C18H16N4O4S/c1-25-12-8-7-11(14(9-12)26-2)10-19-22-17(24)16(23)21-18-20-13-5-3-4-6-15(13)27-18/h3-10H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyUNZUPZLXECZEEW-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.40
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide

N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide (PubChem CID 3692381) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide
PubChem CID3692381
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(C=NNC(=O)C(=O)Nc2nc3ccccc3s2)c(OC)c1
InChIInChI=1S/C18H16N4O4S/c1-25-12-8-7-11(14(9-12)26-2)10-19-22-17(24)16(23)21-18-20-13-5-3-4-6-15(13)27-18/h3-10H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyUNZUPZLXECZEEW-UHFFFAOYSA-N
XLogP2.40
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N'-[(3-hydroxy-4-methoxyphenyl)methylideneamino]oxamide
CID 3733845
N-(1,3-benzothiazol-2-yl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 135822245
2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
CID 136691106
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4133149
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658901
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
2-amino-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522604
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337134

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide (CID 3692381) is N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide is COc1ccc(C=NNC(=O)C(=O)Nc2nc3ccccc3s2)c(OC)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is UNZUPZLXECZEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-25-12-8-7-11(14(9-12)26-2)10-19-22-17(24)16(23)21-18-20-13-5-3-4-6-15(13)27-18/h3-10H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide?
N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 384.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 3692381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).