2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole

C11H9F2NO2S3 — CID 133424793

IUPAC2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2ccc(S(=O)(=O)C(F)F)cc2)n1
InChIInChI=1S/C11H9F2NO2S3/c1-7-6-17-11(14-7)18-8-2-4-9(5-3-8)19(15,16)10(12)13/h2-6,10H,1H3
InChIKeyVICWVMBDZUINND-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.60
Rot. Bonds4

About 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole

2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole (PubChem CID 133424793) has the molecular formula C11H9F2NO2S3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole
PubChem CID133424793
Molecular FormulaC11H9F2NO2S3
Molecular Weight321.40 g/mol
Exact Mass320.98
IUPAC Name2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2ccc(S(=O)(=O)C(F)F)cc2)n1
InChIInChI=1S/C11H9F2NO2S3/c1-7-6-17-11(14-7)18-8-2-4-9(5-3-8)19(15,16)10(12)13/h2-6,10H,1H3
InChIKeyVICWVMBDZUINND-UHFFFAOYSA-N
XLogP3.60
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole
CID 25496142
3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide
CID 56573436
5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 133425620
1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene
CID 133428577
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-2-fluorobenzene
CID 133425004
2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide
CID 47255295
N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide
CID 47093105
N-[4-(difluoromethylsulfonyl)phenyl]-4-methylsulfanylaniline
CID 133426455
3-[4-(difluoromethylsulfonyl)phenyl]sulfanylbutan-2-ol
CID 113347581
1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-[(2R)-pentan-2-yl]urea
CID 51910590
2-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzoic acid
CID 107282647

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole (CID 133424793) is 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole is Cc1csc(Sc2ccc(S(=O)(=O)C(F)F)cc2)n1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole?
The InChIKey is VICWVMBDZUINND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2S3/c1-7-6-17-11(14-7)18-8-2-4-9(5-3-8)19(15,16)10(12)13/h2-6,10H,1H3.
What are the key properties of 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole?
2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole has a molecular weight of 321.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 133424793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).