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

C15H18N4O3S — CID 2883802

IUPACN-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(C)(c2cccc(NC(C)=O)c2)S1
InChIInChI=1S/C15H18N4O3S/c1-9(20)16-13-7-5-6-12(8-13)15(4)19(11(3)22)18-14(23-15)17-10(2)21/h5-8H,1-4H3,(H,16,20)(H,17,18,21)
InChIKeySTTKTWVYTAESLE-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.82
Rot. Bonds2

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

N-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide (PubChem CID 2883802) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide
PubChem CID2883802
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(C)(c2cccc(NC(C)=O)c2)S1
InChIInChI=1S/C15H18N4O3S/c1-9(20)16-13-7-5-6-12(8-13)15(4)19(11(3)22)18-14(23-15)17-10(2)21/h5-8H,1-4H3,(H,16,20)(H,17,18,21)
InChIKeySTTKTWVYTAESLE-UHFFFAOYSA-N
XLogP1.82
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide (CID 2883802) is N-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide is CC(=O)NC1=NN(C(C)=O)C(C)(c2cccc(NC(C)=O)c2)S1.
What is the InChIKey of N-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide?
The InChIKey is STTKTWVYTAESLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9(20)16-13-7-5-6-12(8-13)15(4)19(11(3)22)18-14(23-15)17-10(2)21/h5-8H,1-4H3,(H,16,20)(H,17,18,21).
What are the key properties of N-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide?
N-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 2883802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).