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

C15H19N3O2S — CID 2925344

IUPACN-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCc1ccc(C2(C)SC(NC(C)=O)=NN2C(C)=O)cc1
InChIInChI=1S/C15H19N3O2S/c1-5-12-6-8-13(9-7-12)15(4)18(11(3)20)17-14(21-15)16-10(2)19/h6-9H,5H2,1-4H3,(H,16,17,19)
InChIKeyIRMRHURVQVRIBT-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.42
Rot. Bonds2

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

N-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 2925344) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID2925344
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCc1ccc(C2(C)SC(NC(C)=O)=NN2C(C)=O)cc1
InChIInChI=1S/C15H19N3O2S/c1-5-12-6-8-13(9-7-12)15(4)18(11(3)20)17-14(21-15)16-10(2)19/h6-9H,5H2,1-4H3,(H,16,17,19)
InChIKeyIRMRHURVQVRIBT-UHFFFAOYSA-N
XLogP2.42
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]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-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide (CID 2925344) is N-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide is CCc1ccc(C2(C)SC(NC(C)=O)=NN2C(C)=O)cc1.
What is the InChIKey of N-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is IRMRHURVQVRIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-5-12-6-8-13(9-7-12)15(4)18(11(3)20)17-14(21-15)16-10(2)19/h6-9H,5H2,1-4H3,(H,16,17,19).
What are the key properties of N-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
N-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-5-(4-ethylphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 2925344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).