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

C13H14FN3O2S — CID 3149847

IUPACN-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(C)(c2ccc(F)cc2)S1
InChIInChI=1S/C13H14FN3O2S/c1-8(18)15-12-16-17(9(2)19)13(3,20-12)10-4-6-11(14)7-5-10/h4-7H,1-3H3,(H,15,16,18)
InChIKeyOUTWDCXDSQDBNJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.00
Rot. Bonds1

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

N-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 3149847) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID3149847
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(C)(c2ccc(F)cc2)S1
InChIInChI=1S/C13H14FN3O2S/c1-8(18)15-12-16-17(9(2)19)13(3,20-12)10-4-6-11(14)7-5-10/h4-7H,1-3H3,(H,15,16,18)
InChIKeyOUTWDCXDSQDBNJ-UHFFFAOYSA-N
XLogP2.00
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.00
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-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide (CID 3149847) is N-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)NC1=NN(C(C)=O)C(C)(c2ccc(F)cc2)S1.
What is the InChIKey of N-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OUTWDCXDSQDBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8(18)15-12-16-17(9(2)19)13(3,20-12)10-4-6-11(14)7-5-10/h4-7H,1-3H3,(H,15,16,18).
What are the key properties of N-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
N-[4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.00, 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-(4-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 3149847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).