4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole

C15H14F3NO2S2 — CID 15906479

IUPAC4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole
SMILESO=S(=O)(CCCCC(F)=C(F)F)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H14F3NO2S2/c16-12(14(17)18)8-4-5-9-23(20,21)15-19-13(10-22-15)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeyIDXOMYCIOFJSKK-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.83
Rot. Bonds7

About 4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole

4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole (PubChem CID 15906479) has the molecular formula C15H14F3NO2S2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole
PubChem CID15906479
Molecular FormulaC15H14F3NO2S2
Molecular Weight361.41 g/mol
Exact Mass361.04
IUPAC Name4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole
SMILESO=S(=O)(CCCCC(F)=C(F)F)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H14F3NO2S2/c16-12(14(17)18)8-4-5-9-23(20,21)15-19-13(10-22-15)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeyIDXOMYCIOFJSKK-UHFFFAOYSA-N
XLogP4.83
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
2-Chloro-4-phenylthiazole
CID 2761359
2-(Tert-butylsulfonylmethyl)-4-(3-fluorophenyl)-1,3-thiazole
CID 2742537
N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 829863
N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 887333
2-(Ethylthio)-4-phenylthiazole
CID 79206
2-Bromo-4-phenyl-1,3-thiazole
CID 9921106
2-[(4-Phenyl-1,3-thiazol-2-yl)sulfanyl]acetonitrile
CID 2243317
1,3-Dithiol-2-ylidene(4-phenyl-1,3-thiazol-2-yl)acetonitrile
CID 2312882
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 5310004
N,N-dimethyl-2-(4-phenylthiazol-2-ylthio)ethanamine
CID 44374299

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole (CID 15906479) is 4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole is O=S(=O)(CCCCC(F)=C(F)F)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole?
The InChIKey is IDXOMYCIOFJSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S2/c16-12(14(17)18)8-4-5-9-23(20,21)15-19-13(10-22-15)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole?
4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole has a molecular weight of 361.41 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(5,6,6-trifluorohex-5-enylsulfonyl)-1,3-thiazole is sourced from PubChem (CID 15906479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).