5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide

C16H15FN2O3S3 — CID 166208364

IUPAC5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CSc2nc(-c3ccc(F)cc3)cs2)o1
InChIInChI=1S/C16H15FN2O3S3/c1-19(2)25(20,21)15-8-7-13(22-15)9-23-16-18-14(10-24-16)11-3-5-12(17)6-4-11/h3-8,10H,9H2,1-2H3
InChIKeyKRBBPYHXTFWTCK-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.08
Rot. Bonds6

About 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide

5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 166208364) has the molecular formula C16H15FN2O3S3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID166208364
Molecular FormulaC16H15FN2O3S3
Molecular Weight398.51 g/mol
Exact Mass398.02
IUPAC Name5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CSc2nc(-c3ccc(F)cc3)cs2)o1
InChIInChI=1S/C16H15FN2O3S3/c1-19(2)25(20,21)15-8-7-13(22-15)9-23-16-18-14(10-24-16)11-3-5-12(17)6-4-11/h3-8,10H,9H2,1-2H3
InChIKeyKRBBPYHXTFWTCK-UHFFFAOYSA-N
XLogP4.08
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole
CID 166367974
2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 112778299
(4-benzylpiperazin-1-yl)-[5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]methanone
CID 30859853
N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide
CID 86799275
N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4544119
2-(5-bromo-2-methoxyphenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazole
CID 2536629
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2591156
1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
CID 112778383
N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591188
N-[(2S)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591185
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 17012865
4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole
CID 19194234

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide (CID 166208364) is 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CSc2nc(-c3ccc(F)cc3)cs2)o1.
What is the InChIKey of 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is KRBBPYHXTFWTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S3/c1-19(2)25(20,21)15-8-7-13(22-15)9-23-16-18-14(10-24-16)11-3-5-12(17)6-4-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide?
5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 398.51 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 166208364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).