N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide

C21H20N4O2S — CID 42110511

IUPACN-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccnn3C)sc2c1
InChIInChI=1S/C21H20N4O2S/c1-3-27-16-9-10-17-19(13-16)28-21(23-17)25(14-15-7-5-4-6-8-15)20(26)18-11-12-22-24(18)2/h4-13H,3,14H2,1-2H3
InChIKeySTLHIJDQGFQCAX-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.28
Rot. Bonds6

About N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide

N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 42110511) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID42110511
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccnn3C)sc2c1
InChIInChI=1S/C21H20N4O2S/c1-3-27-16-9-10-17-19(13-16)28-21(23-17)25(14-15-7-5-4-6-8-15)20(26)18-11-12-22-24(18)2/h4-13H,3,14H2,1-2H3
InChIKeySTLHIJDQGFQCAX-UHFFFAOYSA-N
XLogP4.28
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide (CID 42110511) is N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide is CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccnn3C)sc2c1.
What is the InChIKey of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is STLHIJDQGFQCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-3-27-16-9-10-17-19(13-16)28-21(23-17)25(14-15-7-5-4-6-8-15)20(26)18-11-12-22-24(18)2/h4-13H,3,14H2,1-2H3.
What are the key properties of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide?
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42110511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).