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

C16H13N3O2S — CID 156596237

IUPACN-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2nc3cc(C(C)=O)ccc3s2)c1
InChIInChI=1S/C16H13N3O2S/c1-9(20)11-3-4-15-14(6-11)19-16(22-15)12-5-13(8-17-7-12)18-10(2)21/h3-8H,1-2H3,(H,18,21)
InChIKeyHUJXCNWLCWIADF-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.52
Rot. Bonds3

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

N-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide (PubChem CID 156596237) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide
PubChem CID156596237
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2nc3cc(C(C)=O)ccc3s2)c1
InChIInChI=1S/C16H13N3O2S/c1-9(20)11-3-4-15-14(6-11)19-16(22-15)12-5-13(8-17-7-12)18-10(2)21/h3-8H,1-2H3,(H,18,21)
InChIKeyHUJXCNWLCWIADF-UHFFFAOYSA-N
XLogP3.52
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide (CID 156596237) is N-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide is CC(=O)Nc1cncc(-c2nc3cc(C(C)=O)ccc3s2)c1.
What is the InChIKey of N-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide?
The InChIKey is HUJXCNWLCWIADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-9(20)11-3-4-15-14(6-11)19-16(22-15)12-5-13(8-17-7-12)18-10(2)21/h3-8H,1-2H3,(H,18,21).
What are the key properties of N-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide?
N-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide has a molecular weight of 311.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 156596237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).