2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide

C11H11FN2OS2 — CID 861423

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1cccc(F)c1
InChIInChI=1S/C11H11FN2OS2/c12-8-2-1-3-9(6-8)14-10(15)7-17-11-13-4-5-16-11/h1-3,6H,4-5,7H2,(H,14,15)
InChIKeyDTICLGUUWFOSFG-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.60
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide (PubChem CID 861423) has the molecular formula C11H11FN2OS2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide
PubChem CID861423
Molecular FormulaC11H11FN2OS2
Molecular Weight270.35 g/mol
Exact Mass270.03
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1cccc(F)c1
InChIInChI=1S/C11H11FN2OS2/c12-8-2-1-3-9(6-8)14-10(15)7-17-11-13-4-5-16-11/h1-3,6H,4-5,7H2,(H,14,15)
InChIKeyDTICLGUUWFOSFG-UHFFFAOYSA-N
XLogP2.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide (CID 861423) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide is O=C(CSC1=NCCS1)Nc1cccc(F)c1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide?
The InChIKey is DTICLGUUWFOSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS2/c12-8-2-1-3-9(6-8)14-10(15)7-17-11-13-4-5-16-11/h1-3,6H,4-5,7H2,(H,14,15).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 861423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).