4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C23H20N2O2S — CID 4067124

IUPAC4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1cccc2s/c(=N\C(=O)c3ccc(Cc4ccccc4)cc3)n(C)c12
InChIInChI=1S/C23H20N2O2S/c1-25-21-19(27-2)9-6-10-20(21)28-23(25)24-22(26)18-13-11-17(12-14-18)15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3/b24-23-
InChIKeyQLIIORZWBBJHJG-VHXPQNKSSA-N
MW388.49 g/mol
LogP4.58
Rot. Bonds4

About 4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 4067124) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID4067124
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1cccc2s/c(=N\C(=O)c3ccc(Cc4ccccc4)cc3)n(C)c12
InChIInChI=1S/C23H20N2O2S/c1-25-21-19(27-2)9-6-10-20(21)28-23(25)24-22(26)18-13-11-17(12-14-18)15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3/b24-23-
InChIKeyQLIIORZWBBJHJG-VHXPQNKSSA-N
XLogP4.58
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4051036
4-benzyl-N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43938807
3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5175515
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 3316524
4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979722
methyl 2-(4-benzylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 4057633
4-benzyl-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 43979330
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide
CID 7153214
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide
CID 40888522
4-benzyl-N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43946342
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 41149518
methyl 2-[2-(4-benzoylbenzoyl)imino-4-methoxy-1,3-benzothiazol-3-yl]acetate
CID 41204644

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 4067124) is 4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is COc1cccc2s/c(=N\C(=O)c3ccc(Cc4ccccc4)cc3)n(C)c12.
What is the InChIKey of 4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is QLIIORZWBBJHJG-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-25-21-19(27-2)9-6-10-20(21)28-23(25)24-22(26)18-13-11-17(12-14-18)15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3/b24-23-.
What are the key properties of 4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 388.49 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 4067124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).