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

C12H13N3O2S — CID 2729933

IUPACN-(3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccccc2)S1
InChIInChI=1S/C12H13N3O2S/c1-8(16)13-12-14-15(9(2)17)11(18-12)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,13,14,16)
InChIKeyTYZWEONFZGQVSK-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.69
Rot. Bonds1

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

N-(3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide (PubChem CID 2729933) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide
PubChem CID2729933
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccccc2)S1
InChIInChI=1S/C12H13N3O2S/c1-8(16)13-12-14-15(9(2)17)11(18-12)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,13,14,16)
InChIKeyTYZWEONFZGQVSK-UHFFFAOYSA-N
XLogP1.69
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.69
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-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide?
The IUPAC name of N-(3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide (CID 2729933) is N-(3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for N-(3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide is CC(=O)NC1=NN(C(C)=O)C(c2ccccc2)S1.
What is the InChIKey of N-(3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide?
The InChIKey is TYZWEONFZGQVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8(16)13-12-14-15(9(2)17)11(18-12)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,13,14,16).
What are the key properties of N-(3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide?
N-(3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide has a molecular weight of 263.32 g/mol, XLogP of 1.69, 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-phenyl-2H-1,3,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 2729933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).