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

C16H15N3O2S — CID 89034365

IUPACN-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCCOc1cncc(-c2ccc3nc(NC(C)=O)sc3c2)c1
InChIInChI=1S/C16H15N3O2S/c1-3-21-13-6-12(8-17-9-13)11-4-5-14-15(7-11)22-16(19-14)18-10(2)20/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyUKRMJRIYSXBBEO-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.72
Rot. Bonds4

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

N-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 89034365) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID89034365
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCCOc1cncc(-c2ccc3nc(NC(C)=O)sc3c2)c1
InChIInChI=1S/C16H15N3O2S/c1-3-21-13-6-12(8-17-9-13)11-4-5-14-15(7-11)22-16(19-14)18-10(2)20/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyUKRMJRIYSXBBEO-UHFFFAOYSA-N
XLogP3.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide (CID 89034365) is N-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide is CCOc1cncc(-c2ccc3nc(NC(C)=O)sc3c2)c1.
What is the InChIKey of N-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is UKRMJRIYSXBBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-3-21-13-6-12(8-17-9-13)11-4-5-14-15(7-11)22-16(19-14)18-10(2)20/h4-9H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 313.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-ethoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 89034365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).