N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide

C13H15N3O2S — CID 2872297

IUPACN-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccc(C)cc2)S1
InChIInChI=1S/C13H15N3O2S/c1-8-4-6-11(7-5-8)12-16(10(3)18)15-13(19-12)14-9(2)17/h4-7,12H,1-3H3,(H,14,15,17)
InChIKeyXATACZAJDNAJOC-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.00
Rot. Bonds1

About N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide

N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 2872297) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
PubChem CID2872297
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccc(C)cc2)S1
InChIInChI=1S/C13H15N3O2S/c1-8-4-6-11(7-5-8)12-16(10(3)18)15-13(19-12)14-9(2)17/h4-7,12H,1-3H3,(H,14,15,17)
InChIKeyXATACZAJDNAJOC-UHFFFAOYSA-N
XLogP2.00
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide (CID 2872297) is N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide is CC(=O)NC1=NN(C(C)=O)C(c2ccc(C)cc2)S1.
What is the InChIKey of N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The InChIKey is XATACZAJDNAJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-4-6-11(7-5-8)12-16(10(3)18)15-13(19-12)14-9(2)17/h4-7,12H,1-3H3,(H,14,15,17).
What are the key properties of N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide has a molecular weight of 277.35 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-2-(4-methylphenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 2872297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).