N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide

C15H13N3O2S — CID 89034287

IUPACN-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1cncc(-c2ccc3nc(NC(C)=O)sc3c2)c1
InChIInChI=1S/C15H13N3O2S/c1-9(19)17-15-18-13-4-3-10(6-14(13)21-15)11-5-12(20-2)8-16-7-11/h3-8H,1-2H3,(H,17,18,19)
InChIKeyOJHQTTWFOODEQF-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.33
Rot. Bonds3

About N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide

N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 89034287) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID89034287
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1cncc(-c2ccc3nc(NC(C)=O)sc3c2)c1
InChIInChI=1S/C15H13N3O2S/c1-9(19)17-15-18-13-4-3-10(6-14(13)21-15)11-5-12(20-2)8-16-7-11/h3-8H,1-2H3,(H,17,18,19)
InChIKeyOJHQTTWFOODEQF-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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide (CID 89034287) is N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide is COc1cncc(-c2ccc3nc(NC(C)=O)sc3c2)c1.
What is the InChIKey of N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is OJHQTTWFOODEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9(19)17-15-18-13-4-3-10(6-14(13)21-15)11-5-12(20-2)8-16-7-11/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]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-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 89034287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).