oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide

C16H15N5O6S2 — CID 71784006

IUPACoxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide
SMILESO=C(CN1CC(c2nc(-c3cccs3)no2)C1)Nc1nccs1.O=C(O)C(=O)O
InChIInChI=1S/C14H13N5O2S2.C2H2O4/c20-11(16-14-15-3-5-23-14)8-19-6-9(7-19)13-17-12(18-21-13)10-2-1-4-22-10;3-1(4)2(5)6/h1-5,9H,6-8H2,(H,15,16,20);(H,3,4)(H,5,6)
InChIKeyZVIGZFAJKCUFEU-UHFFFAOYSA-N
MW437.46 g/mol
LogP1.45
Rot. Bonds5

About oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide

oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide (PubChem CID 71784006) has the molecular formula C16H15N5O6S2 and a molecular weight of 437.46 g/mol. Its IUPAC name is oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide.

Molecular Properties

Compound Nameoxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide
PubChem CID71784006
Molecular FormulaC16H15N5O6S2
Molecular Weight437.46 g/mol
Exact Mass437.05
IUPAC Nameoxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide
SMILESO=C(CN1CC(c2nc(-c3cccs3)no2)C1)Nc1nccs1.O=C(O)C(=O)O
InChIInChI=1S/C14H13N5O2S2.C2H2O4/c20-11(16-14-15-3-5-23-14)8-19-6-9(7-19)13-17-12(18-21-13)10-2-1-4-22-10;3-1(4)2(5)6/h1-5,9H,6-8H2,(H,15,16,20);(H,3,4)(H,5,6)
InChIKeyZVIGZFAJKCUFEU-UHFFFAOYSA-N
XLogP1.45
TPSA158.75 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide?
The IUPAC name of oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide (CID 71784006) is oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide.
What is the SMILES notation for oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide?
The canonical SMILES for oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide is O=C(CN1CC(c2nc(-c3cccs3)no2)C1)Nc1nccs1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide?
The InChIKey is ZVIGZFAJKCUFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S2.C2H2O4/c20-11(16-14-15-3-5-23-14)8-19-6-9(7-19)13-17-12(18-21-13)10-2-1-4-22-10;3-1(4)2(5)6/h1-5,9H,6-8H2,(H,15,16,20);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide?
oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide has a molecular weight of 437.46 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-(1,3-thiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide is sourced from PubChem (CID 71784006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).