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

C11H10FN3OS — CID 784941

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Cc2ccccc2F)s1
InChIInChI=1S/C11H10FN3OS/c1-7(16)13-11-15-14-10(17-11)6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeySTOOHZHDRXFMBU-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.23
Rot. Bonds3

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

N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 784941) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID784941
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Cc2ccccc2F)s1
InChIInChI=1S/C11H10FN3OS/c1-7(16)13-11-15-14-10(17-11)6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeySTOOHZHDRXFMBU-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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 784941) is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(Cc2ccccc2F)s1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is STOOHZHDRXFMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-7(16)13-11-15-14-10(17-11)6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,13,15,16).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(2-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-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 784941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).