2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide

C12H12F2N2O3S2 — CID 82916465

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide
SMILESCc1nc(COc2c(F)cc(F)cc2S(N)(=O)=O)sc1C
InChIInChI=1S/C12H12F2N2O3S2/c1-6-7(2)20-11(16-6)5-19-12-9(14)3-8(13)4-10(12)21(15,17)18/h3-4H,5H2,1-2H3,(H2,15,17,18)
InChIKeyWDUHMNJDTVWEDS-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.26
Rot. Bonds4

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide

2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide (PubChem CID 82916465) has the molecular formula C12H12F2N2O3S2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide
PubChem CID82916465
Molecular FormulaC12H12F2N2O3S2
Molecular Weight334.37 g/mol
Exact Mass334.03
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide
SMILESCc1nc(COc2c(F)cc(F)cc2S(N)(=O)=O)sc1C
InChIInChI=1S/C12H12F2N2O3S2/c1-6-7(2)20-11(16-6)5-19-12-9(14)3-8(13)4-10(12)21(15,17)18/h3-4H,5H2,1-2H3,(H2,15,17,18)
InChIKeyWDUHMNJDTVWEDS-UHFFFAOYSA-N
XLogP2.26
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-N,N-dimethylbenzenesulfonamide
CID 71855824
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide
CID 71999579
2-Methoxy-5-methyl-4-(phenoxy-methyl) thiazole
CID 132471536
2-[(4-Fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole
CID 47207809
4-(2-Ethoxyethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 60452696
4-(Ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 75414903
2-[(4-Fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
CID 78913096
2-[(2-Fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
CID 79025580
2-[(3-Fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
CID 80299469
[2-[(2-Fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol
CID 82119836
[2-[(3-Fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol
CID 82119837
[2-[(4-Fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanol
CID 82119838

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide (CID 82916465) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide is Cc1nc(COc2c(F)cc(F)cc2S(N)(=O)=O)sc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide?
The InChIKey is WDUHMNJDTVWEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S2/c1-6-7(2)20-11(16-6)5-19-12-9(14)3-8(13)4-10(12)21(15,17)18/h3-4H,5H2,1-2H3,(H2,15,17,18).
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide has a molecular weight of 334.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 82916465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).