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

C11H10F2N2OS2 — CID 594825

IUPACN-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1ccc(F)cc1F
InChIInChI=1S/C11H10F2N2OS2/c12-7-1-2-9(8(13)5-7)15-10(16)6-18-11-14-3-4-17-11/h1-2,5H,3-4,6H2,(H,15,16)
InChIKeyKWKKQHUEIKAMHN-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.74
Rot. Bonds3

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

N-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 594825) has the molecular formula C11H10F2N2OS2 and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID594825
Molecular FormulaC11H10F2N2OS2
Molecular Weight288.34 g/mol
Exact Mass288.02
IUPAC NameN-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1ccc(F)cc1F
InChIInChI=1S/C11H10F2N2OS2/c12-7-1-2-9(8(13)5-7)15-10(16)6-18-11-14-3-4-17-11/h1-2,5H,3-4,6H2,(H,15,16)
InChIKeyKWKKQHUEIKAMHN-UHFFFAOYSA-N
XLogP2.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (CID 594825) is N-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is O=C(CSC1=NCCS1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is KWKKQHUEIKAMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS2/c12-7-1-2-9(8(13)5-7)15-10(16)6-18-11-14-3-4-17-11/h1-2,5H,3-4,6H2,(H,15,16).
What are the key properties of N-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
N-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide has a molecular weight of 288.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 594825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).