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

C11H10FN3OS2 — CID 2507519

IUPACN-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)NCc1ccc(F)cc1
InChIInChI=1S/C11H10FN3OS2/c12-9-3-1-8(2-4-9)5-13-10(16)6-17-11-15-14-7-18-11/h1-4,7H,5-6H2,(H,13,16)
InChIKeyCJCCNKUIBPYLCK-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.09
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 2507519) has the molecular formula C11H10FN3OS2 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID2507519
Molecular FormulaC11H10FN3OS2
Molecular Weight283.35 g/mol
Exact Mass283.02
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)NCc1ccc(F)cc1
InChIInChI=1S/C11H10FN3OS2/c12-9-3-1-8(2-4-9)5-13-10(16)6-17-11-15-14-7-18-11/h1-4,7H,5-6H2,(H,13,16)
InChIKeyCJCCNKUIBPYLCK-UHFFFAOYSA-N
XLogP2.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 2507519) is N-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is O=C(CSc1nncs1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is CJCCNKUIBPYLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS2/c12-9-3-1-8(2-4-9)5-13-10(16)6-17-11-15-14-7-18-11/h1-4,7H,5-6H2,(H,13,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2507519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).