N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide

C19H19N3O4S — CID 22507694

IUPACN-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide
SMILESCOc1ccc(C2COCCO2)c2sc(NC(=O)Cc3ccccn3)nc12
InChIInChI=1S/C19H19N3O4S/c1-24-14-6-5-13(15-11-25-8-9-26-15)18-17(14)22-19(27-18)21-16(23)10-12-4-2-3-7-20-12/h2-7,15H,8-11H2,1H3,(H,21,22,23)
InChIKeyBJIVBCFOBYKRKP-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.97
Rot. Bonds5

About N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide

N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide (PubChem CID 22507694) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide
PubChem CID22507694
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide
SMILESCOc1ccc(C2COCCO2)c2sc(NC(=O)Cc3ccccn3)nc12
InChIInChI=1S/C19H19N3O4S/c1-24-14-6-5-13(15-11-25-8-9-26-15)18-17(14)22-19(27-18)21-16(23)10-12-4-2-3-7-20-12/h2-7,15H,8-11H2,1H3,(H,21,22,23)
InChIKeyBJIVBCFOBYKRKP-UHFFFAOYSA-N
XLogP2.97
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide (CID 22507694) is N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide is COc1ccc(C2COCCO2)c2sc(NC(=O)Cc3ccccn3)nc12.
What is the InChIKey of N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide?
The InChIKey is BJIVBCFOBYKRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-24-14-6-5-13(15-11-25-8-9-26-15)18-17(14)22-19(27-18)21-16(23)10-12-4-2-3-7-20-12/h2-7,15H,8-11H2,1H3,(H,21,22,23).
What are the key properties of N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide?
N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide has a molecular weight of 385.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 22507694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).