N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide

C12H15N3OS — CID 79143005

IUPACN-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2ccc(C)cc2s1
InChIInChI=1S/C12H15N3OS/c1-8-3-4-10-11(7-8)17-12(15-10)14-6-5-13-9(2)16/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyJDJYMPNOAFEFFG-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.15
Rot. Bonds4

About N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide

N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide (PubChem CID 79143005) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
PubChem CID79143005
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2ccc(C)cc2s1
InChIInChI=1S/C12H15N3OS/c1-8-3-4-10-11(7-8)17-12(15-10)14-6-5-13-9(2)16/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyJDJYMPNOAFEFFG-UHFFFAOYSA-N
XLogP2.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]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

4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82192999
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142262
N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)butane-1,4-diamine
CID 79142843
2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115817
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79146680
N'-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79142175
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115427
3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 60851102
N-(2-hydroxyethyl)-N'-(6-methyl-1,3-benzothiazol-2-yl)butanediamide
CID 2067233

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide (CID 79143005) is N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nc2ccc(C)cc2s1.
What is the InChIKey of N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide?
The InChIKey is JDJYMPNOAFEFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-3-4-10-11(7-8)17-12(15-10)14-6-5-13-9(2)16/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide?
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide has a molecular weight of 249.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 79143005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).