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

C21H22N2O5S2 — CID 53060436

IUPAC5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC3)c1
InChIInChI=1S/C21H22N2O5S2/c1-26-15-6-4-5-14(11-15)21-22-17-9-10-23(13-20(17)29-21)30(24,25)16-7-8-18(27-2)19(12-16)28-3/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyQSQMLDHRTCXFIN-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.58
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 53060436) has the molecular formula C21H22N2O5S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID53060436
Molecular FormulaC21H22N2O5S2
Molecular Weight446.55 g/mol
Exact Mass446.10
IUPAC Name5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC3)c1
InChIInChI=1S/C21H22N2O5S2/c1-26-15-6-4-5-14(11-15)21-22-17-9-10-23(13-20(17)29-21)30(24,25)16-7-8-18(27-2)19(12-16)28-3/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyQSQMLDHRTCXFIN-UHFFFAOYSA-N
XLogP3.58
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 53060436) is 5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is COc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC3)c1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is QSQMLDHRTCXFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S2/c1-26-15-6-4-5-14(11-15)21-22-17-9-10-23(13-20(17)29-21)30(24,25)16-7-8-18(27-2)19(12-16)28-3/h4-8,11-12H,9-10,13H2,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 446.55 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 53060436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).