2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole

C10H8F3NS2 — CID 11821447

IUPAC2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole
SMILESCSC1(F)N=C(c2ccccc2)C(F)(F)S1
InChIInChI=1S/C10H8F3NS2/c1-15-10(13)14-8(9(11,12)16-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyYYQXBUATYNODGS-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.76
Rot. Bonds2

About 2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole

2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole (PubChem CID 11821447) has the molecular formula C10H8F3NS2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole
PubChem CID11821447
Molecular FormulaC10H8F3NS2
Molecular Weight263.31 g/mol
Exact Mass263.01
IUPAC Name2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole
SMILESCSC1(F)N=C(c2ccccc2)C(F)(F)S1
InChIInChI=1S/C10H8F3NS2/c1-15-10(13)14-8(9(11,12)16-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyYYQXBUATYNODGS-UHFFFAOYSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Thiazoline, 2-ethyl-4-phenyl-
CID 3050568
3-Thiazoline, 2-ethyl-2-methyl-4-phenyl-
CID 13738288
5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole
CID 162409047
5-phenyl-2-(trifluoromethylsulfanylmethyl)-3,4-dihydro-2H-pyrrole
CID 176438265
dodecyl (E)-N-(trifluoromethyl)benzenecarboximidothioate
CID 176438470
1-(Azaethylidene)-3-methylthio-2-phenylcyclobut-2-ene
CID 4164467
4-Phenylthiazoline-2-thione
CID 20192735
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-[(5,5-Difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 11120214
1-[(2,5,5-Trifluoro-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 11130545

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole?
The IUPAC name of 2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole (CID 11821447) is 2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole?
The canonical SMILES for 2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole is CSC1(F)N=C(c2ccccc2)C(F)(F)S1.
What is the InChIKey of 2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole?
The InChIKey is YYQXBUATYNODGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NS2/c1-15-10(13)14-8(9(11,12)16-10)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole?
2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole has a molecular weight of 263.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole is sourced from PubChem (CID 11821447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).