2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide

C11H12N4O2S2 — CID 75524360

IUPAC2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NCC(=O)Nc1nc(-c2sccc2C)ns1
InChIInChI=1S/C11H12N4O2S2/c1-6-3-4-18-9(6)10-14-11(19-15-10)13-8(17)5-12-7(2)16/h3-4H,5H2,1-2H3,(H,12,16)(H,13,14,15,17)
InChIKeyAOUBYSSBTBIHMO-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.65
Rot. Bonds4

About 2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide

2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 75524360) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID75524360
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC Name2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NCC(=O)Nc1nc(-c2sccc2C)ns1
InChIInChI=1S/C11H12N4O2S2/c1-6-3-4-18-9(6)10-14-11(19-15-10)13-8(17)5-12-7(2)16/h3-4H,5H2,1-2H3,(H,12,16)(H,13,14,15,17)
InChIKeyAOUBYSSBTBIHMO-UHFFFAOYSA-N
XLogP1.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of 2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide (CID 75524360) is 2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide is CC(=O)NCC(=O)Nc1nc(-c2sccc2C)ns1.
What is the InChIKey of 2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is AOUBYSSBTBIHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-6-3-4-18-9(6)10-14-11(19-15-10)13-8(17)5-12-7(2)16/h3-4H,5H2,1-2H3,(H,12,16)(H,13,14,15,17).
What are the key properties of 2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 296.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 75524360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).