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

C15H21N3O2S — CID 144940333

IUPACN-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide;ethane
SMILESCC.CC(=O)NC1=NN(C(C)=O)C(C)(c2ccccc2)S1
InChIInChI=1S/C13H15N3O2S.C2H6/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11;1-2/h4-8H,1-3H3,(H,14,15,17);1-2H3
InChIKeyIYQQSUFNFBUTCI-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.89
Rot. Bonds1

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

N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide;ethane (PubChem CID 144940333) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide;ethane
PubChem CID144940333
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide;ethane
SMILESCC.CC(=O)NC1=NN(C(C)=O)C(C)(c2ccccc2)S1
InChIInChI=1S/C13H15N3O2S.C2H6/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11;1-2/h4-8H,1-3H3,(H,14,15,17);1-2H3
InChIKeyIYQQSUFNFBUTCI-UHFFFAOYSA-N
XLogP2.89
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide;ethane?
The IUPAC name of N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide;ethane (CID 144940333) is N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide;ethane.
What is the SMILES notation for N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide;ethane?
The canonical SMILES for N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide;ethane is CC.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;ethane?
The InChIKey is IYQQSUFNFBUTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S.C2H6/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11;1-2/h4-8H,1-3H3,(H,14,15,17);1-2H3.
What are the key properties of N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide;ethane?
N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide;ethane has a molecular weight of 307.42 g/mol, XLogP of 2.89, 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;ethane is sourced from PubChem (CID 144940333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).