1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one

C12H11F2NO2S2 — CID 11120214

IUPAC1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
SMILESCC(=O)CSC1(O)N=C(c2ccccc2)C(F)(F)S1
InChIInChI=1S/C12H11F2NO2S2/c1-8(16)7-18-12(17)15-10(11(13,14)19-12)9-5-3-2-4-6-9/h2-6,17H,7H2,1H3
InChIKeyHJWPIWJMQGCQCQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.74
Rot. Bonds4

About 1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one

1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one (PubChem CID 11120214) has the molecular formula C12H11F2NO2S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one.

Molecular Properties

Compound Name1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
PubChem CID11120214
Molecular FormulaC12H11F2NO2S2
Molecular Weight303.36 g/mol
Exact Mass303.02
IUPAC Name1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
SMILESCC(=O)CSC1(O)N=C(c2ccccc2)C(F)(F)S1
InChIInChI=1S/C12H11F2NO2S2/c1-8(16)7-18-12(17)15-10(11(13,14)19-12)9-5-3-2-4-6-9/h2-6,17H,7H2,1H3
InChIKeyHJWPIWJMQGCQCQ-UHFFFAOYSA-N
XLogP2.74
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-4-ol
CID 3363949
5,5-Difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol
CID 10879863
5,5-Difluoro-4-phenyl-2-prop-2-ynylsulfanyl-1,3-thiazol-2-ol
CID 10891428
2,5,5-Trifluoro-4-phenyl-2-prop-2-ynylsulfanyl-1,3-thiazole
CID 11087417
1-[(2,5,5-Trifluoro-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 11130545
(4R)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
CID 7245177
(4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
CID 7746210
2,5,5-Trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole
CID 11821447
4-(Trifluoromethyl)-2-phenyl-2-thiazolin-4-ol
CID 15717196
1-[[5-(2,3-difluorophenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one
CID 159478446
4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one
CID 170923840

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one?
The IUPAC name of 1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one (CID 11120214) is 1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one.
What is the SMILES notation for 1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one?
The canonical SMILES for 1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one is CC(=O)CSC1(O)N=C(c2ccccc2)C(F)(F)S1.
What is the InChIKey of 1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one?
The InChIKey is HJWPIWJMQGCQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2S2/c1-8(16)7-18-12(17)15-10(11(13,14)19-12)9-5-3-2-4-6-9/h2-6,17H,7H2,1H3.
What are the key properties of 1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one?
1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one has a molecular weight of 303.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one is sourced from PubChem (CID 11120214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).