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

C12H17N3O2S — CID 54078717

IUPAC2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCN1c2ccc(O)cc2SC1CCNC(=O)CN
InChIInChI=1S/C12H17N3O2S/c1-15-9-3-2-8(16)6-10(9)18-12(15)4-5-14-11(17)7-13/h2-3,6,12,16H,4-5,7,13H2,1H3,(H,14,17)
InChIKeyMLOGXBYKIRMWKA-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.73
Rot. Bonds4

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

2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 54078717) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID54078717
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCN1c2ccc(O)cc2SC1CCNC(=O)CN
InChIInChI=1S/C12H17N3O2S/c1-15-9-3-2-8(16)6-10(9)18-12(15)4-5-14-11(17)7-13/h2-3,6,12,16H,4-5,7,13H2,1H3,(H,14,17)
InChIKeyMLOGXBYKIRMWKA-UHFFFAOYSA-N
XLogP0.73
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide (CID 54078717) is 2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide is CN1c2ccc(O)cc2SC1CCNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is MLOGXBYKIRMWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-15-9-3-2-8(16)6-10(9)18-12(15)4-5-14-11(17)7-13/h2-3,6,12,16H,4-5,7,13H2,1H3,(H,14,17).
What are the key properties of 2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide?
2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 267.35 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 54078717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).