N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide

C20H22N2OS — CID 53269145

IUPACN-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)cc1
InChIInChI=1S/C20H22N2OS/c1-5-13-6-8-14(9-7-13)18(23)22-19-21-16-11-10-15(20(2,3)4)12-17(16)24-19/h6-12H,5H2,1-4H3,(H,21,22,23)
InChIKeyUAYWIPCOUVGXSK-UHFFFAOYSA-N
MW338.48 g/mol
LogP5.41
Rot. Bonds3

About N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide

N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide (PubChem CID 53269145) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
PubChem CID53269145
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)cc1
InChIInChI=1S/C20H22N2OS/c1-5-13-6-8-14(9-7-13)18(23)22-19-21-16-11-10-15(20(2,3)4)12-17(16)24-19/h6-12H,5H2,1-4H3,(H,21,22,23)
InChIKeyUAYWIPCOUVGXSK-UHFFFAOYSA-N
XLogP5.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 2991104
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 53268856
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 17100920
4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419
6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 26243830
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954
4-tert-butyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 4303636
N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 53268944
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(methylsulfonylmethyl)benzamide
CID 8006451
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-hydroxybenzotriazole-5-carboxamide
CID 2103166

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide?
The IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide (CID 53269145) is N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide?
The canonical SMILES for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)cc1.
What is the InChIKey of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide?
The InChIKey is UAYWIPCOUVGXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-5-13-6-8-14(9-7-13)18(23)22-19-21-16-11-10-15(20(2,3)4)12-17(16)24-19/h6-12H,5H2,1-4H3,(H,21,22,23).
What are the key properties of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide?
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide has a molecular weight of 338.48 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide is sourced from PubChem (CID 53269145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).