4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide

C24H24N2OS — CID 4191264

IUPAC4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)sc2c3ccccc3ccc21
InChIInChI=1S/C24H24N2OS/c1-5-26-20-15-12-16-8-6-7-9-19(16)21(20)28-23(26)25-22(27)17-10-13-18(14-11-17)24(2,3)4/h6-15H,5H2,1-4H3/b25-23-
InChIKeyXRLYALHXANTAEK-BZZOAKBMSA-N
MW388.54 g/mol
LogP5.91
Rot. Bonds2

About 4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide

4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide (PubChem CID 4191264) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
PubChem CID4191264
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)sc2c3ccccc3ccc21
InChIInChI=1S/C24H24N2OS/c1-5-26-20-15-12-16-8-6-7-9-19(16)21(20)28-23(26)25-22(27)17-10-13-18(14-11-17)24(2,3)4/h6-15H,5H2,1-4H3/b25-23-
InChIKeyXRLYALHXANTAEK-BZZOAKBMSA-N
XLogP5.91
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 5105360
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide
CID 4191270
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4184631
4-bromo-N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
CID 43939041
methyl 2-[2-[4-[4-[[3-(2-methoxy-2-oxoethyl)benzo[g][1,3]benzothiazol-2-ylidene]carbamoyl]phenoxy]benzoyl]iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 43942350
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide
CID 4573875
4-butoxy-N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
CID 43939080
methyl 2-[2-(3,4,5-triethoxybenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 41205061
4-(dimethylsulfamoyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43943845
ethyl 2-[2-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 41204039
(E)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
CID 42387598
N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide
CID 43938665

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide (CID 4191264) is 4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide is CCn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)sc2c3ccccc3ccc21.
What is the InChIKey of 4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide?
The InChIKey is XRLYALHXANTAEK-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-5-26-20-15-12-16-8-6-7-9-19(16)21(20)28-23(26)25-22(27)17-10-13-18(14-11-17)24(2,3)4/h6-15H,5H2,1-4H3/b25-23-.
What are the key properties of 4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide?
4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide has a molecular weight of 388.54 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 4191264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).