2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C22H24N2O6S2 — CID 53060468

IUPAC2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC3)cc1OC
InChIInChI=1S/C22H24N2O6S2/c1-27-17-7-5-14(11-19(17)29-3)22-23-16-9-10-24(13-21(16)31-22)32(25,26)15-6-8-18(28-2)20(12-15)30-4/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyFQMAIBBXFVVAAI-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.59
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 53060468) has the molecular formula C22H24N2O6S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID53060468
Molecular FormulaC22H24N2O6S2
Molecular Weight476.58 g/mol
Exact Mass476.11
IUPAC Name2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC3)cc1OC
InChIInChI=1S/C22H24N2O6S2/c1-27-17-7-5-14(11-19(17)29-3)22-23-16-9-10-24(13-21(16)31-22)32(25,26)15-6-8-18(28-2)20(12-15)30-4/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyFQMAIBBXFVVAAI-UHFFFAOYSA-N
XLogP3.59
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(3,4-dimethoxyphenyl)sulfonyl-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060492
5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060436
2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060480
5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060433
[2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
CID 50770228
2-(4-methylphenyl)-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53033231
5-(4-chlorophenyl)sulfonyl-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53033264
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227
N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060396
N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526783
N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66864913
11-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
CID 90628458

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 53060468) is 2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC3)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is FQMAIBBXFVVAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S2/c1-27-17-7-5-14(11-19(17)29-3)22-23-16-9-10-24(13-21(16)31-22)32(25,26)15-6-8-18(28-2)20(12-15)30-4/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 476.58 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 53060468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).