4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C24H22N2OS — CID 43979722

IUPAC4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc2s/c(=N\C(=O)c3ccc(Cc4ccccc4)cc3)n(C)c2cc1C
InChIInChI=1S/C24H22N2OS/c1-16-13-21-22(14-17(16)2)28-24(26(21)3)25-23(27)20-11-9-19(10-12-20)15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3/b25-24-
InChIKeyAIVHZMXMMIXPFU-IZHYLOQSSA-N
MW386.52 g/mol
LogP5.19
Rot. Bonds3

About 4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43979722) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43979722
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC Name4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc2s/c(=N\C(=O)c3ccc(Cc4ccccc4)cc3)n(C)c2cc1C
InChIInChI=1S/C24H22N2OS/c1-16-13-21-22(14-17(16)2)28-24(26(21)3)25-23(27)20-11-9-19(10-12-20)15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3/b25-24-
InChIKeyAIVHZMXMMIXPFU-IZHYLOQSSA-N
XLogP5.19
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 43979889
methyl 2-(4-benzylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 4057633
methyl 4-[(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 40697613
4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40697618
4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984132
3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980164
4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4067124
4-benzyl-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 4123898
3,4-diethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980184
4-benzyl-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 43979330
4-benzoyl-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979739
N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide
CID 43980367

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43979722) is 4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1cc2s/c(=N\C(=O)c3ccc(Cc4ccccc4)cc3)n(C)c2cc1C.
What is the InChIKey of 4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is AIVHZMXMMIXPFU-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-16-13-21-22(14-17(16)2)28-24(26(21)3)25-23(27)20-11-9-19(10-12-20)15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3/b25-24-.
What are the key properties of 4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 386.52 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43979722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).