3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

C23H28N2O4S — CID 41235435

IUPAC3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)cc(OCC)c1OCC
InChIInChI=1S/C23H28N2O4S/c1-6-27-18-11-16(12-19(28-7-2)21(18)29-8-3)22(26)25-23-24-17-10-9-15(14(4)5)13-20(17)30-23/h9-14H,6-8H2,1-5H3,(H,24,25,26)
InChIKeyWZONVCHWSZISIT-UHFFFAOYSA-N
MW428.55 g/mol
LogP5.87
Rot. Bonds9

About 3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41235435) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
PubChem CID41235435
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)cc(OCC)c1OCC
InChIInChI=1S/C23H28N2O4S/c1-6-27-18-11-16(12-19(28-7-2)21(18)29-8-3)22(26)25-23-24-17-10-9-15(14(4)5)13-20(17)30-23/h9-14H,6-8H2,1-5H3,(H,24,25,26)
InChIKeyWZONVCHWSZISIT-UHFFFAOYSA-N
XLogP5.87
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.55
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide 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-(6-tert-butyl-1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 53268856
N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 4233786
3,4,5-triethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3615359
4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419
methyl 2-[(4-propan-2-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128804
3,4,5-triethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
CID 4062314
4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7202790
3,4,5-triethoxy-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3308749
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-triethoxybenzamide
CID 1339348
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
3-methylsulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7267158

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 41235435) is 3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is CCOc1cc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is WZONVCHWSZISIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-6-27-18-11-16(12-19(28-7-2)21(18)29-8-3)22(26)25-23-24-17-10-9-15(14(4)5)13-20(17)30-23/h9-14H,6-8H2,1-5H3,(H,24,25,26).
What are the key properties of 3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 428.55 g/mol, XLogP of 5.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41235435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).