N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C15H16N4O2S2 — CID 56790070

IUPACN-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2sc(-c3cccs3)nc2C)n1
InChIInChI=1S/C15H16N4O2S2/c1-8-11(23-13(16-8)10-6-5-7-22-10)12-17-14(19-21-12)15(3,4)18-9(2)20/h5-7H,1-4H3,(H,18,20)
InChIKeyWMCWXKICHMMSIG-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.60
Rot. Bonds4

About N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 56790070) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID56790070
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC NameN-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2sc(-c3cccs3)nc2C)n1
InChIInChI=1S/C15H16N4O2S2/c1-8-11(23-13(16-8)10-6-5-7-22-10)12-17-14(19-21-12)15(3,4)18-9(2)20/h5-7H,1-4H3,(H,18,20)
InChIKeyWMCWXKICHMMSIG-UHFFFAOYSA-N
XLogP3.60
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 56790070) is N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(-c2sc(-c3cccs3)nc2C)n1.
What is the InChIKey of N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is WMCWXKICHMMSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-8-11(23-13(16-8)10-6-5-7-22-10)12-17-14(19-21-12)15(3,4)18-9(2)20/h5-7H,1-4H3,(H,18,20).
What are the key properties of N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 56790070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).