N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide

C15H13N3O2S — CID 134434352

IUPACN-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide
SMILESCOc1ccc2sc(-c3cncc(NC(C)=O)c3)nc2c1
InChIInChI=1S/C15H13N3O2S/c1-9(19)17-11-5-10(7-16-8-11)15-18-13-6-12(20-2)3-4-14(13)21-15/h3-8H,1-2H3,(H,17,19)
InChIKeyJLUXIHDOQQZMIZ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.33
Rot. Bonds3

About N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide

N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide (PubChem CID 134434352) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide
PubChem CID134434352
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide
SMILESCOc1ccc2sc(-c3cncc(NC(C)=O)c3)nc2c1
InChIInChI=1S/C15H13N3O2S/c1-9(19)17-11-5-10(7-16-8-11)15-18-13-6-12(20-2)3-4-14(13)21-15/h3-8H,1-2H3,(H,17,19)
InChIKeyJLUXIHDOQQZMIZ-UHFFFAOYSA-N
XLogP3.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]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 N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide (CID 134434352) is N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide is COc1ccc2sc(-c3cncc(NC(C)=O)c3)nc2c1.
What is the InChIKey of N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide?
The InChIKey is JLUXIHDOQQZMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9(19)17-11-5-10(7-16-8-11)15-18-13-6-12(20-2)3-4-14(13)21-15/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide?
N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide has a molecular weight of 299.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 134434352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).