[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite

C19H18NO7S2- — CID 71172547

IUPAC[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite
SMILESCOc1ccc(-c2cnsc2-c2cc(OC)c(OC)c(OC)c2)cc1OS(=O)[O-]
InChIInChI=1S/C19H19NO7S2/c1-23-14-6-5-11(7-15(14)27-29(21)22)13-10-20-28-19(13)12-8-16(24-2)18(26-4)17(9-12)25-3/h5-10H,1-4H3,(H,21,22)/p-1
InChIKeyHEAPBDUHCCTWFF-UHFFFAOYSA-M
MW436.49 g/mol
LogP3.68
Rot. Bonds8

About [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite

[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite (PubChem CID 71172547) has the molecular formula C19H18NO7S2- and a molecular weight of 436.49 g/mol. Its IUPAC name is [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite.

Molecular Properties

Compound Name[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite
PubChem CID71172547
Molecular FormulaC19H18NO7S2-
Molecular Weight436.49 g/mol
Exact Mass436.05
IUPAC Name[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite
SMILESCOc1ccc(-c2cnsc2-c2cc(OC)c(OC)c(OC)c2)cc1OS(=O)[O-]
InChIInChI=1S/C19H19NO7S2/c1-23-14-6-5-11(7-15(14)27-29(21)22)13-10-20-28-19(13)12-8-16(24-2)18(26-4)17(9-12)25-3/h5-10H,1-4H3,(H,21,22)/p-1
InChIKeyHEAPBDUHCCTWFF-UHFFFAOYSA-M
XLogP3.68
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

ethyl [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] hydrogen phosphite
CID 143470075
CID 87134307
CID 87134307
[(2S)-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]anilino]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 158967705
2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide
CID 76570054
[(2R)-4-carboxy-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]anilino]-1-oxobutan-2-yl]azanium chloride
CID 158821119
3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide
CID 66744969
2-amino-3-(1H-imidazol-5-yl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]propanamide
CID 76570071
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
disodium;[4-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-thiazol-4-yl]phenyl] phosphate
CID 162022952
3-(2-hydroxypropyl)-1-methoxy-1-[3-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]urea;hydrochloride
CID 173014247
5-[3,5-dimethoxy-4-(methylperoxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-thiazole
CID 88882073
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite?
The IUPAC name of [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite (CID 71172547) is [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite.
What is the SMILES notation for [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite?
The canonical SMILES for [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite is COc1ccc(-c2cnsc2-c2cc(OC)c(OC)c(OC)c2)cc1OS(=O)[O-].
What is the InChIKey of [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite?
The InChIKey is HEAPBDUHCCTWFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H19NO7S2/c1-23-14-6-5-11(7-15(14)27-29(21)22)13-10-20-28-19(13)12-8-16(24-2)18(26-4)17(9-12)25-3/h5-10H,1-4H3,(H,21,22)/p-1.
What are the key properties of [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite?
[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite has a molecular weight of 436.49 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite is sourced from PubChem (CID 71172547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).