4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide

C17H24N2OS — CID 78783707

IUPAC4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide
SMILESCCCCN(CC)C(=O)CCCc1nc2ccccc2s1
InChIInChI=1S/C17H24N2OS/c1-3-5-13-19(4-2)17(20)12-8-11-16-18-14-9-6-7-10-15(14)21-16/h6-7,9-10H,3-5,8,11-13H2,1-2H3
InChIKeyVJXQTTWOBYFWRG-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.27
Rot. Bonds8

About 4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide

4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide (PubChem CID 78783707) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide
PubChem CID78783707
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide
SMILESCCCCN(CC)C(=O)CCCc1nc2ccccc2s1
InChIInChI=1S/C17H24N2OS/c1-3-5-13-19(4-2)17(20)12-8-11-16-18-14-9-6-7-10-15(14)21-16/h6-7,9-10H,3-5,8,11-13H2,1-2H3
InChIKeyVJXQTTWOBYFWRG-UHFFFAOYSA-N
XLogP4.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide 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

3-[4-(1,3-benzothiazol-2-yl)butanoyl-ethylamino]propanoic acid
CID 119190925
2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide
CID 54184308
4-(1,3-benzothiazol-2-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 51157146
4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide
CID 55864180
4-[[4-(1,3-benzothiazol-2-yl)butanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56512435
3-(1,3-benzothiazol-2-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 32567705
3-(1,3-benzothiazol-2-yl)propyl-methylcarbamic acid
CID 21273429
N-(3-amino-2,2-dimethylpropyl)-4-(1,3-benzothiazol-2-yl)-N-methylbutanamide
CID 119656653
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(1,3-benzothiazol-2-yl)-N-ethylbutanamide
CID 29310138
4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 112761133
4-(1,3-benzothiazol-2-yl)-N-[3-(N-ethylanilino)propyl]butanamide
CID 41278298
4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide
CID 78801574

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide (CID 78783707) is 4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide is CCCCN(CC)C(=O)CCCc1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide?
The InChIKey is VJXQTTWOBYFWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-5-13-19(4-2)17(20)12-8-11-16-18-14-9-6-7-10-15(14)21-16/h6-7,9-10H,3-5,8,11-13H2,1-2H3.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide?
4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide has a molecular weight of 304.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide is sourced from PubChem (CID 78783707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).