2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide

C12H15N3O2S — CID 106240152

IUPAC2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide
SMILESCc1ccc2sc(NCCOCC(N)=O)nc2c1
InChIInChI=1S/C12H15N3O2S/c1-8-2-3-10-9(6-8)15-12(18-10)14-4-5-17-7-11(13)16/h2-3,6H,4-5,7H2,1H3,(H2,13,16)(H,14,15)
InChIKeyXGGHEKXEZGFELU-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.52
Rot. Bonds6

About 2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide

2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide (PubChem CID 106240152) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide
PubChem CID106240152
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide
SMILESCc1ccc2sc(NCCOCC(N)=O)nc2c1
InChIInChI=1S/C12H15N3O2S/c1-8-2-3-10-9(6-8)15-12(18-10)14-4-5-17-7-11(13)16/h2-3,6H,4-5,7H2,1H3,(H2,13,16)(H,14,15)
InChIKeyXGGHEKXEZGFELU-UHFFFAOYSA-N
XLogP1.52
TPSA77.24 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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-methyl-1,3-benzothiazol-2-yl)amino]butanamide
CID 60864154
ethyl 4-[(5-methyl-1,3-benzothiazol-2-yl)amino]butanoate
CID 60648615
methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 106241502
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
3-[(5-bromo-1,3-benzothiazol-2-yl)amino]propanamide
CID 43553812
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
2-[2-[1-(2,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235967
2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide
CID 43306475
ethyl 2-(5-methyl-1,3-benzothiazol-2-yl)acetate
CID 79022075
2-[(5-bromo-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115580
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82192999
4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]butanamide
CID 60864153

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide (CID 106240152) is 2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide is Cc1ccc2sc(NCCOCC(N)=O)nc2c1.
What is the InChIKey of 2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide?
The InChIKey is XGGHEKXEZGFELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-2-3-10-9(6-8)15-12(18-10)14-4-5-17-7-11(13)16/h2-3,6H,4-5,7H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide?
2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide has a molecular weight of 265.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1,3-benzothiazol-2-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106240152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).