N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide

C20H21N3O2S — CID 55958284

IUPACN-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
SMILESO=C(CCCCc1nc2ccccc2s1)NCC(=O)Nc1ccccc1
InChIInChI=1S/C20H21N3O2S/c24-18(21-14-19(25)22-15-8-2-1-3-9-15)12-6-7-13-20-23-16-10-4-5-11-17(16)26-20/h1-5,8-11H,6-7,12-14H2,(H,21,24)(H,22,25)
InChIKeyMYZNLORHEIDLGM-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.76
Rot. Bonds8

About N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide

N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide (PubChem CID 55958284) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
PubChem CID55958284
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
SMILESO=C(CCCCc1nc2ccccc2s1)NCC(=O)Nc1ccccc1
InChIInChI=1S/C20H21N3O2S/c24-18(21-14-19(25)22-15-8-2-1-3-9-15)12-6-7-13-20-23-16-10-4-5-11-17(16)26-20/h1-5,8-11H,6-7,12-14H2,(H,21,24)(H,22,25)
InChIKeyMYZNLORHEIDLGM-UHFFFAOYSA-N
XLogP3.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide 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-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 9296966
N-(3-anilinopropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 56541420
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074
5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
CID 78802007
N-[3-(2-anilino-2-oxoethoxy)phenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55901194
2-[3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]phenyl]acetic acid
CID 119351780
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
CID 24530018
N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119625961
5-[4-(1,3-benzothiazol-2-yl)butylamino]-5-oxopentanoic acid
CID 123617279
4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
CID 2598266
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157
5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide
CID 78822892

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide (CID 55958284) is N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide is O=C(CCCCc1nc2ccccc2s1)NCC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
The InChIKey is MYZNLORHEIDLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-18(21-14-19(25)22-15-8-2-1-3-9-15)12-6-7-13-20-23-16-10-4-5-11-17(16)26-20/h1-5,8-11H,6-7,12-14H2,(H,21,24)(H,22,25).
What are the key properties of N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide has a molecular weight of 367.47 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide is sourced from PubChem (CID 55958284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).