N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide

C17H16N4O2S — CID 57331135

IUPACN'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide
SMILESO=C(NCCc1ccccn1)C(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C17H16N4O2S/c22-16(19-10-8-12-5-3-4-9-18-12)17(23)20-11-15-21-13-6-1-2-7-14(13)24-15/h1-7,9H,8,10-11H2,(H,19,22)(H,20,23)
InChIKeyZVIJSDLQAOARIZ-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.67
Rot. Bonds5

About N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide

N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide (PubChem CID 57331135) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide
PubChem CID57331135
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide
SMILESO=C(NCCc1ccccn1)C(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C17H16N4O2S/c22-16(19-10-8-12-5-3-4-9-18-12)17(23)20-11-15-21-13-6-1-2-7-14(13)24-15/h1-7,9H,8,10-11H2,(H,19,22)(H,20,23)
InChIKeyZVIJSDLQAOARIZ-UHFFFAOYSA-N
XLogP1.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N'-quinolin-5-yloxamide
CID 71894798
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
1-[3-(1,3-benzothiazol-2-yl)propyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969611
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-2,2-difluoroacetamide
CID 86817053
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 38285207
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide?
The IUPAC name of N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide (CID 57331135) is N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide.
What is the SMILES notation for N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide?
The canonical SMILES for N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide is O=C(NCCc1ccccn1)C(=O)NCc1nc2ccccc2s1.
What is the InChIKey of N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide?
The InChIKey is ZVIJSDLQAOARIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16(19-10-8-12-5-3-4-9-18-12)17(23)20-11-15-21-13-6-1-2-7-14(13)24-15/h1-7,9H,8,10-11H2,(H,19,22)(H,20,23).
What are the key properties of N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide?
N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide has a molecular weight of 340.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide is sourced from PubChem (CID 57331135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).