N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide

C18H17N3O2S — CID 71894677

IUPACN'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide
SMILESCc1cccc(CNC(=O)C(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C18H17N3O2S/c1-11-4-3-5-13(8-11)10-19-17(22)18(23)21-14-6-7-15-16(9-14)24-12(2)20-15/h3-9H,10H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyZBHWXDRTVWFNHA-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.17
Rot. Bonds3

About N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide

N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide (PubChem CID 71894677) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide
PubChem CID71894677
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide
SMILESCc1cccc(CNC(=O)C(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C18H17N3O2S/c1-11-4-3-5-13(8-11)10-19-17(22)18(23)21-14-6-7-15-16(9-14)24-12(2)20-15/h3-9H,10H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyZBHWXDRTVWFNHA-UHFFFAOYSA-N
XLogP3.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984777
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide
CID 7915256
3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
CID 43682648
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
CID 7741991
2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102300
N-[(3-methylphenyl)methyl]-N'-(4-phenoxyphenyl)oxamide
CID 108984794
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108984747
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide (CID 71894677) is N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide is Cc1cccc(CNC(=O)C(=O)Nc2ccc3nc(C)sc3c2)c1.
What is the InChIKey of N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide?
The InChIKey is ZBHWXDRTVWFNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-4-3-5-13(8-11)10-19-17(22)18(23)21-14-6-7-15-16(9-14)24-12(2)20-15/h3-9H,10H2,1-2H3,(H,19,22)(H,21,23).
What are the key properties of N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide?
N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide has a molecular weight of 339.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide is sourced from PubChem (CID 71894677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).