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

C11H10FN3OS — CID 783371

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C11H10FN3OS/c1-7(16)13-11-15-14-10(17-11)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyLVMBSJGQIOUPCA-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.23
Rot. Bonds3

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

N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 783371) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID783371
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C11H10FN3OS/c1-7(16)13-11-15-14-10(17-11)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyLVMBSJGQIOUPCA-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[(4-fluorophenyl)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-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 783371) is N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is LVMBSJGQIOUPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-7(16)13-11-15-14-10(17-11)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,15,16).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 251.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 783371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).