N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide

C18H18N2O3S — CID 7189824

IUPACN-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCCc1cccc2sc(NC(=O)c3cc(OC)cc(OC)c3)nc12
InChIInChI=1S/C18H18N2O3S/c1-4-11-6-5-7-15-16(11)19-18(24-15)20-17(21)12-8-13(22-2)10-14(9-12)23-3/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyUAONGMQLDRAJES-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.13
Rot. Bonds5

About N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide

N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide (PubChem CID 7189824) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
PubChem CID7189824
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCCc1cccc2sc(NC(=O)c3cc(OC)cc(OC)c3)nc12
InChIInChI=1S/C18H18N2O3S/c1-4-11-6-5-7-15-16(11)19-18(24-15)20-17(21)12-8-13(22-2)10-14(9-12)23-3/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyUAONGMQLDRAJES-UHFFFAOYSA-N
XLogP4.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide 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)-3-phenoxybenzamide
CID 41235420
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 7202745
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 41235427
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41235388
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 2150698
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 43989583
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 7202719
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanylbenzamide
CID 41147133
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 121080923
(4-ethyl-1,3-benzothiazol-2-yl)thiourea
CID 30032212

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide (CID 7189824) is N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide is CCc1cccc2sc(NC(=O)c3cc(OC)cc(OC)c3)nc12.
What is the InChIKey of N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
The InChIKey is UAONGMQLDRAJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-4-11-6-5-7-15-16(11)19-18(24-15)20-17(21)12-8-13(22-2)10-14(9-12)23-3/h5-10H,4H2,1-3H3,(H,19,20,21).
What are the key properties of N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide has a molecular weight of 342.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 7189824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).