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

C15H12FN3OS2 — CID 2201365

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C15H12FN3OS2/c16-11-5-3-10(4-6-11)8-14-18-19-15(22-14)17-13(20)9-12-2-1-7-21-12/h1-7H,8-9H2,(H,17,19,20)
InChIKeyYVFXEADDHVKXSI-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.51
Rot. Bonds5

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

N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 2201365) has the molecular formula C15H12FN3OS2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID2201365
Molecular FormulaC15H12FN3OS2
Molecular Weight333.41 g/mol
Exact Mass333.04
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C15H12FN3OS2/c16-11-5-3-10(4-6-11)8-14-18-19-15(22-14)17-13(20)9-12-2-1-7-21-12/h1-7H,8-9H2,(H,17,19,20)
InChIKeyYVFXEADDHVKXSI-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 2201365) is N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is YVFXEADDHVKXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS2/c16-11-5-3-10(4-6-11)8-14-18-19-15(22-14)17-13(20)9-12-2-1-7-21-12/h1-7H,8-9H2,(H,17,19,20).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 333.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2201365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).