4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide

C18H18N2OS — CID 2598266

IUPAC4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
SMILESO=C(CCCc1nc2ccccc2s1)NCc1ccccc1
InChIInChI=1S/C18H18N2OS/c21-17(19-13-14-7-2-1-3-8-14)11-6-12-18-20-15-9-4-5-10-16(15)22-18/h1-5,7-10H,6,11-13H2,(H,19,21)
InChIKeyAKKCFNWUMPDSLG-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.94
Rot. Bonds6

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

4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide (PubChem CID 2598266) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
PubChem CID2598266
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
SMILESO=C(CCCc1nc2ccccc2s1)NCc1ccccc1
InChIInChI=1S/C18H18N2OS/c21-17(19-13-14-7-2-1-3-8-14)11-6-12-18-20-15-9-4-5-10-16(15)22-18/h1-5,7-10H,6,11-13H2,(H,19,21)
InChIKeyAKKCFNWUMPDSLG-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 9270471
3-[[4-(1,3-benzothiazol-2-yl)butanoylamino]methyl]benzamide
CID 32636652
4-(1,3-benzothiazol-2-yl)-N-[[3-(butanoylamino)phenyl]methyl]butanamide
CID 55782553
4-(1,3-benzothiazol-2-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 56551795
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 2433698
(2S)-3-[4-(1,3-benzothiazol-2-yl)butanoylamino]-2-phenylpropanoic acid
CID 97234535
5-[4-(1,3-benzothiazol-2-yl)butylamino]-5-oxopentanoic acid
CID 123617279
4-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-3-phenylpropyl]butanamide
CID 51150499
[1-(benzylamino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 55320336
4-(1,3-benzothiazol-2-yl)-N-[2-(1,3-benzothiazol-2-ylamino)ethyl]butanamide
CID 55601271

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide (CID 2598266) is 4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide is O=C(CCCc1nc2ccccc2s1)NCc1ccccc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide?
The InChIKey is AKKCFNWUMPDSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c21-17(19-13-14-7-2-1-3-8-14)11-6-12-18-20-15-9-4-5-10-16(15)22-18/h1-5,7-10H,6,11-13H2,(H,19,21).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide?
4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide has a molecular weight of 310.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide is sourced from PubChem (CID 2598266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).