N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide

C12H15N3O2S — CID 44753805

IUPACN-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C12H15N3O2S/c1-17-7-6-13-8-11(16)15-12-14-9-4-2-3-5-10(9)18-12/h2-5,13H,6-8H2,1H3,(H,14,15,16)
InChIKeyKEUWHWBECWPDSU-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.47
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide

N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide (PubChem CID 44753805) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
PubChem CID44753805
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C12H15N3O2S/c1-17-7-6-13-8-11(16)15-12-14-9-4-2-3-5-10(9)18-12/h2-5,13H,6-8H2,1H3,(H,14,15,16)
InChIKeyKEUWHWBECWPDSU-UHFFFAOYSA-N
XLogP1.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)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-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
2-(2-methoxyethylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119670239
N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide
CID 17066509
2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 81081342
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503924
2-(1,3-benzothiazol-2-ylcarbamoyloxy)ethyl N-(1,3-benzothiazol-2-yl)carbamate;hydrochloride
CID 54599741
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide (CID 44753805) is N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is KEUWHWBECWPDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-17-7-6-13-8-11(16)15-12-14-9-4-2-3-5-10(9)18-12/h2-5,13H,6-8H2,1H3,(H,14,15,16).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 265.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 44753805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).