N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide

C17H16N2OS — CID 7202698

IUPACN-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCCc1cccc2sc(NC(=O)c3ccc(C)cc3)nc12
InChIInChI=1S/C17H16N2OS/c1-3-12-5-4-6-14-15(12)18-17(21-14)19-16(20)13-9-7-11(2)8-10-13/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyPFZXUVQQMLGDOR-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.42
Rot. Bonds3

About N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide

N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide (PubChem CID 7202698) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
PubChem CID7202698
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCCc1cccc2sc(NC(=O)c3ccc(C)cc3)nc12
InChIInChI=1S/C17H16N2OS/c1-3-12-5-4-6-14-15(12)18-17(21-14)19-16(20)13-9-7-11(2)8-10-13/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyPFZXUVQQMLGDOR-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide 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

N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 41235427
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 7202719
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 7202745
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41235388
N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 7189824
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 41235420
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 16825435
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanylbenzamide
CID 41147133
4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41235454
(4-ethyl-1,3-benzothiazol-2-yl)thiourea
CID 30032212
4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4551607

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide (CID 7202698) is N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide is CCc1cccc2sc(NC(=O)c3ccc(C)cc3)nc12.
What is the InChIKey of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The InChIKey is PFZXUVQQMLGDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-3-12-5-4-6-14-15(12)18-17(21-14)19-16(20)13-9-7-11(2)8-10-13/h4-10H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide has a molecular weight of 296.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 7202698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).