N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide

C19H24N4O2S — CID 30461951

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCCOc1cccc2sc(N(CCn3cccn3)C(=O)C(C)(C)C)nc12
InChIInChI=1S/C19H24N4O2S/c1-5-25-14-8-6-9-15-16(14)21-18(26-15)23(17(24)19(2,3)4)13-12-22-11-7-10-20-22/h6-11H,5,12-13H2,1-4H3
InChIKeyDUAOMEBLNVBWEM-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.97
Rot. Bonds6

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide (PubChem CID 30461951) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide
PubChem CID30461951
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCCOc1cccc2sc(N(CCn3cccn3)C(=O)C(C)(C)C)nc12
InChIInChI=1S/C19H24N4O2S/c1-5-25-14-8-6-9-15-16(14)21-18(26-15)23(17(24)19(2,3)4)13-12-22-11-7-10-20-22/h6-11H,5,12-13H2,1-4H3
InChIKeyDUAOMEBLNVBWEM-UHFFFAOYSA-N
XLogP3.97
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide 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

2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30461812
2,4-dichloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 30461910
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-pyrazol-1-ylethyl)naphthalene-2-carboxamide
CID 30461966
N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
CID 30461854
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)butanamide
CID 30462581
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(2-pyrazol-1-ylethyl)acetamide
CID 30462429
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30462508
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)cyclopropanecarboxamide
CID 30868374
N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41109734
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 43960859
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 41343811
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 43997938

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide (CID 30461951) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide is CCOc1cccc2sc(N(CCn3cccn3)C(=O)C(C)(C)C)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide?
The InChIKey is DUAOMEBLNVBWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-5-25-14-8-6-9-15-16(14)21-18(26-15)23(17(24)19(2,3)4)13-12-22-11-7-10-20-22/h6-11H,5,12-13H2,1-4H3.
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide has a molecular weight of 372.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-pyrazol-1-ylethyl)propanamide is sourced from PubChem (CID 30461951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).