N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide

C15H20N4OS — CID 43081339

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2nc3ccc(N)cc3s2)C1
InChIInChI=1S/C15H20N4OS/c1-10-3-2-6-19(8-10)9-14(20)18-15-17-12-5-4-11(16)7-13(12)21-15/h4-5,7,10H,2-3,6,8-9,16H2,1H3,(H,17,18,20)
InChIKeyKEKMYJYKFRPVFT-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.55
Rot. Bonds3

About N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide

N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 43081339) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID43081339
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2nc3ccc(N)cc3s2)C1
InChIInChI=1S/C15H20N4OS/c1-10-3-2-6-19(8-10)9-14(20)18-15-17-12-5-4-11(16)7-13(12)21-15/h4-5,7,10H,2-3,6,8-9,16H2,1H3,(H,17,18,20)
InChIKeyKEKMYJYKFRPVFT-UHFFFAOYSA-N
XLogP2.55
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide 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-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60974238
N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16779145
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 41312748
2-(4-methylpiperidin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide;oxalic acid
CID 171668780
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 115581786
N-(1,3-benzothiazol-2-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 51435714
2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 79322232
N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide
CID 63115305
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 167869533
2-(azepan-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 650783
N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide
CID 62115980

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide (CID 43081339) is N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)Nc2nc3ccc(N)cc3s2)C1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is KEKMYJYKFRPVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-3-2-6-19(8-10)9-14(20)18-15-17-12-5-4-11(16)7-13(12)21-15/h4-5,7,10H,2-3,6,8-9,16H2,1H3,(H,17,18,20).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 43081339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).