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

C13H16N2O4S2 — CID 154789050

IUPAC4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(N)(=O)=O)ccc1OCc1nc(C)c(C)s1
InChIInChI=1S/C13H16N2O4S2/c1-8-9(2)20-13(15-8)7-19-11-5-4-10(21(14,16)17)6-12(11)18-3/h4-6H,7H2,1-3H3,(H2,14,16,17)
InChIKeyFDBVUOIRUPXOFJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.99
Rot. Bonds5

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

4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide (PubChem CID 154789050) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide
PubChem CID154789050
Molecular FormulaC13H16N2O4S2
Molecular Weight328.42 g/mol
Exact Mass328.06
IUPAC Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(N)(=O)=O)ccc1OCc1nc(C)c(C)s1
InChIInChI=1S/C13H16N2O4S2/c1-8-9(2)20-13(15-8)7-19-11-5-4-10(21(14,16)17)6-12(11)18-3/h4-6H,7H2,1-3H3,(H2,14,16,17)
InChIKeyFDBVUOIRUPXOFJ-UHFFFAOYSA-N
XLogP1.99
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methylbenzenesulfonyl chloride
CID 82915914
2,3-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide
CID 82912874
2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide
CID 82912914
CID 118692692
CID 118692692
(1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82001527
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide
CID 82916465
methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate
CID 71909586
5-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzonitrile
CID 80605077
2-bromo-5-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzaldehyde
CID 81494161
2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
CID 113353826
1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone
CID 113265047
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanone
CID 115789523

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide?
The IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide (CID 154789050) is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide is COc1cc(S(N)(=O)=O)ccc1OCc1nc(C)c(C)s1.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide?
The InChIKey is FDBVUOIRUPXOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c1-8-9(2)20-13(15-8)7-19-11-5-4-10(21(14,16)17)6-12(11)18-3/h4-6H,7H2,1-3H3,(H2,14,16,17).
What are the key properties of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide?
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide has a molecular weight of 328.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 154789050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).