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

C12H13FN2OS2 — CID 17403739

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
SMILESCC(SC1=NCCS1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS2/c1-8(18-12-14-6-7-17-12)11(16)15-10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyFQQQVAOFIXOFNR-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.99
Rot. Bonds3

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

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide (PubChem CID 17403739) has the molecular formula C12H13FN2OS2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
PubChem CID17403739
Molecular FormulaC12H13FN2OS2
Molecular Weight284.38 g/mol
Exact Mass284.05
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
SMILESCC(SC1=NCCS1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS2/c1-8(18-12-14-6-7-17-12)11(16)15-10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyFQQQVAOFIXOFNR-UHFFFAOYSA-N
XLogP2.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide
CID 23830370
(2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454380
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-sulfamoylphenyl)propanamide
CID 9454357
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 26726601
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454338
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454339
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9454335
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 23858692
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 4788887
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25038009
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 23801598
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 7805245

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide (CID 17403739) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide is CC(SC1=NCCS1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide?
The InChIKey is FQQQVAOFIXOFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS2/c1-8(18-12-14-6-7-17-12)11(16)15-10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide has a molecular weight of 284.38 g/mol, XLogP of 2.99, 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-(4-fluorophenyl)propanamide is sourced from PubChem (CID 17403739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).