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

C16H12N4O3S2 — CID 22587576

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nc4ncccc4o3)sc2c1
InChIInChI=1S/C16H12N4O3S2/c1-22-9-4-5-10-12(7-9)25-15(18-10)19-13(21)8-24-16-20-14-11(23-16)3-2-6-17-14/h2-7H,8H2,1H3,(H,18,19,21)
InChIKeySYTSYXHEBXBCNU-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.57
Rot. Bonds5

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 22587576) has the molecular formula C16H12N4O3S2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID22587576
Molecular FormulaC16H12N4O3S2
Molecular Weight372.43 g/mol
Exact Mass372.04
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nc4ncccc4o3)sc2c1
InChIInChI=1S/C16H12N4O3S2/c1-22-9-4-5-10-12(7-9)25-15(18-10)19-13(21)8-24-16-20-14-11(23-16)3-2-6-17-14/h2-7H,8H2,1H3,(H,18,19,21)
InChIKeySYTSYXHEBXBCNU-UHFFFAOYSA-N
XLogP3.57
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide (CID 22587576) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide is COc1ccc2nc(NC(=O)CSc3nc4ncccc4o3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is SYTSYXHEBXBCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S2/c1-22-9-4-5-10-12(7-9)25-15(18-10)19-13(21)8-24-16-20-14-11(23-16)3-2-6-17-14/h2-7H,8H2,1H3,(H,18,19,21).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 372.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 22587576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).