2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C13H15FN4O2S2 — CID 17427149

IUPAC2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOCCNc1nnc(SC(C(N)=O)c2ccc(F)cc2)s1
InChIInChI=1S/C13H15FN4O2S2/c1-20-7-6-16-12-17-18-13(22-12)21-10(11(15)19)8-2-4-9(14)5-3-8/h2-5,10H,6-7H2,1H3,(H2,15,19)(H,16,17)
InChIKeyVHOQOLGLOGJCDI-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.05
Rot. Bonds8

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

2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 17427149) has the molecular formula C13H15FN4O2S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID17427149
Molecular FormulaC13H15FN4O2S2
Molecular Weight342.42 g/mol
Exact Mass342.06
IUPAC Name2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOCCNc1nnc(SC(C(N)=O)c2ccc(F)cc2)s1
InChIInChI=1S/C13H15FN4O2S2/c1-20-7-6-16-12-17-18-13(22-12)21-10(11(15)19)8-2-4-9(14)5-3-8/h2-5,10H,6-7H2,1H3,(H2,15,19)(H,16,17)
InChIKeyVHOQOLGLOGJCDI-UHFFFAOYSA-N
XLogP2.05
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 17427149) is 2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is COCCNc1nnc(SC(C(N)=O)c2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is VHOQOLGLOGJCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S2/c1-20-7-6-16-12-17-18-13(22-12)21-10(11(15)19)8-2-4-9(14)5-3-8/h2-5,10H,6-7H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 17427149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).