N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide

C17H14N4O3S2 — CID 22587575

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCCOc1ccc2nc(NC(=O)CSc3nc4ncccc4o3)sc2c1
InChIInChI=1S/C17H14N4O3S2/c1-2-23-10-5-6-11-13(8-10)26-16(19-11)20-14(22)9-25-17-21-15-12(24-17)4-3-7-18-15/h3-8H,2,9H2,1H3,(H,19,20,22)
InChIKeyRXTFUQLCADGRLB-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.96
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 22587575) has the molecular formula C17H14N4O3S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID22587575
Molecular FormulaC17H14N4O3S2
Molecular Weight386.46 g/mol
Exact Mass386.05
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCCOc1ccc2nc(NC(=O)CSc3nc4ncccc4o3)sc2c1
InChIInChI=1S/C17H14N4O3S2/c1-2-23-10-5-6-11-13(8-10)26-16(19-11)20-14(22)9-25-17-21-15-12(24-17)4-3-7-18-15/h3-8H,2,9H2,1H3,(H,19,20,22)
InChIKeyRXTFUQLCADGRLB-UHFFFAOYSA-N
XLogP3.96
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide (CID 22587575) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide is CCOc1ccc2nc(NC(=O)CSc3nc4ncccc4o3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is RXTFUQLCADGRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S2/c1-2-23-10-5-6-11-13(8-10)26-16(19-11)20-14(22)9-25-17-21-15-12(24-17)4-3-7-18-15/h3-8H,2,9H2,1H3,(H,19,20,22).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 386.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 22587575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).