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

C17H15N3O2S — CID 156596245

IUPAC3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide
SMILESCC(=O)c1ccc2sc(-c3cncc(CCC(N)=O)c3)nc2c1
InChIInChI=1S/C17H15N3O2S/c1-10(21)12-3-4-15-14(7-12)20-17(23-15)13-6-11(8-19-9-13)2-5-16(18)22/h3-4,6-9H,2,5H2,1H3,(H2,18,22)
InChIKeyUQOUESNYVJUAQX-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.98
Rot. Bonds5

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

3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide (PubChem CID 156596245) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide
PubChem CID156596245
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide
SMILESCC(=O)c1ccc2sc(-c3cncc(CCC(N)=O)c3)nc2c1
InChIInChI=1S/C17H15N3O2S/c1-10(21)12-3-4-15-14(7-12)20-17(23-15)13-6-11(8-19-9-13)2-5-16(18)22/h3-4,6-9H,2,5H2,1H3,(H2,18,22)
InChIKeyUQOUESNYVJUAQX-UHFFFAOYSA-N
XLogP2.98
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide?
The IUPAC name of 3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide (CID 156596245) is 3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide is CC(=O)c1ccc2sc(-c3cncc(CCC(N)=O)c3)nc2c1.
What is the InChIKey of 3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide?
The InChIKey is UQOUESNYVJUAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-10(21)12-3-4-15-14(7-12)20-17(23-15)13-6-11(8-19-9-13)2-5-16(18)22/h3-4,6-9H,2,5H2,1H3,(H2,18,22).
What are the key properties of 3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide?
3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide has a molecular weight of 325.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-acetyl-1,3-benzothiazol-2-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 156596245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).