4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide

C22H21N3O2S2 — CID 55895223

IUPAC4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCOc1ccccc1-c1csc(NC(=O)CCCc2nc3ccccc3s2)n1
InChIInChI=1S/C22H21N3O2S2/c1-2-27-18-10-5-3-8-15(18)17-14-28-22(24-17)25-20(26)12-7-13-21-23-16-9-4-6-11-19(16)29-21/h3-6,8-11,14H,2,7,12-13H2,1H3,(H,24,25,26)
InChIKeyNJQIJDMQWBQZGF-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.78
Rot. Bonds8

About 4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide

4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 55895223) has the molecular formula C22H21N3O2S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID55895223
Molecular FormulaC22H21N3O2S2
Molecular Weight423.56 g/mol
Exact Mass423.11
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCOc1ccccc1-c1csc(NC(=O)CCCc2nc3ccccc3s2)n1
InChIInChI=1S/C22H21N3O2S2/c1-2-27-18-10-5-3-8-15(18)17-14-28-22(24-17)25-20(26)12-7-13-21-23-16-9-4-6-11-19(16)29-21/h3-6,8-11,14H,2,7,12-13H2,1H3,(H,24,25,26)
InChIKeyNJQIJDMQWBQZGF-UHFFFAOYSA-N
XLogP5.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide 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-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide
CID 55922394
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide
CID 51258091
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 18192870
4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 51151121
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19196964
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
CID 2472699
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide (CID 55895223) is 4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide is CCOc1ccccc1-c1csc(NC(=O)CCCc2nc3ccccc3s2)n1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is NJQIJDMQWBQZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S2/c1-2-27-18-10-5-3-8-15(18)17-14-28-22(24-17)25-20(26)12-7-13-21-23-16-9-4-6-11-19(16)29-21/h3-6,8-11,14H,2,7,12-13H2,1H3,(H,24,25,26).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide?
4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 423.56 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 55895223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).