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

C13H15N3O2S — CID 2930014

IUPACN-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(C)(c2ccccc2)S1
InChIInChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
InChIKeyJEFVYQYZCAVNTP-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.86
Rot. Bonds1

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

N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2930014) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2930014
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(C)(c2ccccc2)S1
InChIInChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
InChIKeyJEFVYQYZCAVNTP-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide
CID 686905
N-[4-acetyl-5-(4-ethylphenyl)-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 2925344
N-[4-acetyl-5-methyl-5-(2-naphthyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 4595895
N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 11858360
N-[4-acetyl-5-(4-bromophenyl)-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 4396316
N-[4-acetyl-5-(4-fluorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 2881296
N-[4-(2,2-dimethylpropanoyl)-5-(methoxymethyl)-5-phenyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 118709483
2-methyl-N-[5-methyl-4-(2-methylpropanoyl)-5-phenyl-1,3,4-thiadiazol-2-yl]propanamide
CID 118721855
3-methyl-N-[5-methyl-4-(3-methylbutanoyl)-5-phenyl-1,3,4-thiadiazol-2-yl]butanamide
CID 118721856
N-[4-acetyl-5-(2,5-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
CID 127037279
N-[4-acetyl-5-(4-methylphenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 2872297
ST093069
CID 2729933

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2930014) is N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)NC1=NN(C(C)=O)C(C)(c2ccccc2)S1.
What is the InChIKey of N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JEFVYQYZCAVNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17).
What are the key properties of N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2930014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).