2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide

C12H15N3OS — CID 70986315

IUPAC2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide
SMILESCc1nc2cc(C(C(N)=O)N(C)C)ccc2s1
InChIInChI=1S/C12H15N3OS/c1-7-14-9-6-8(4-5-10(9)17-7)11(12(13)16)15(2)3/h4-6,11H,1-3H3,(H2,13,16)
InChIKeyQVRDSNPNNZRYQY-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.69
Rot. Bonds3

About 2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide

2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide (PubChem CID 70986315) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide
PubChem CID70986315
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide
SMILESCc1nc2cc(C(C(N)=O)N(C)C)ccc2s1
InChIInChI=1S/C12H15N3OS/c1-7-14-9-6-8(4-5-10(9)17-7)11(12(13)16)15(2)3/h4-6,11H,1-3H3,(H2,13,16)
InChIKeyQVRDSNPNNZRYQY-UHFFFAOYSA-N
XLogP1.69
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide (CID 70986315) is 2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide is Cc1nc2cc(C(C(N)=O)N(C)C)ccc2s1.
What is the InChIKey of 2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide?
The InChIKey is QVRDSNPNNZRYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-14-9-6-8(4-5-10(9)17-7)11(12(13)16)15(2)3/h4-6,11H,1-3H3,(H2,13,16).
What are the key properties of 2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide?
2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide has a molecular weight of 249.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-methyl-1,3-benzothiazol-5-yl)acetamide is sourced from PubChem (CID 70986315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).