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

C21H21FN2O4S2 — CID 53060480

IUPAC2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(F)ccc2C)CC3)cc1OC
InChIInChI=1S/C21H21FN2O4S2/c1-13-4-6-15(22)11-20(13)30(25,26)24-9-8-16-19(12-24)29-21(23-16)14-5-7-17(27-2)18(10-14)28-3/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeySWQADRHLIAQJCI-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.02
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 53060480) has the molecular formula C21H21FN2O4S2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID53060480
Molecular FormulaC21H21FN2O4S2
Molecular Weight448.54 g/mol
Exact Mass448.09
IUPAC Name2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(F)ccc2C)CC3)cc1OC
InChIInChI=1S/C21H21FN2O4S2/c1-13-4-6-15(22)11-20(13)30(25,26)24-9-8-16-19(12-24)29-21(23-16)14-5-7-17(27-2)18(10-14)28-3/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeySWQADRHLIAQJCI-UHFFFAOYSA-N
XLogP4.02
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060468
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)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
CID 50770228
methyl N-[5-(2,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529220
5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060433
N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525404
methyl N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529206
methyl N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529195
N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060396
2-(4-methylphenyl)-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53033231
3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
CID 108780466

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 53060480) is 2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(F)ccc2C)CC3)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is SWQADRHLIAQJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S2/c1-13-4-6-15(22)11-20(13)30(25,26)24-9-8-16-19(12-24)29-21(23-16)14-5-7-17(27-2)18(10-14)28-3/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 448.54 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-(5-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 53060480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).