3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide

C21H25N5O5S2 — CID 90532557

IUPAC3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4cc(OC)ccc4OC)nn3C)sc2C1
InChIInChI=1S/C21H25N5O5S2/c1-5-33(28,29)26-9-8-15-19(12-26)32-21(22-15)23-20(27)17-11-16(24-25(17)2)14-10-13(30-3)6-7-18(14)31-4/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,22,23,27)
InChIKeyNFMQIXUHMVIEQA-UHFFFAOYSA-N
MW491.60 g/mol
LogP2.52
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 90532557) has the molecular formula C21H25N5O5S2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide
PubChem CID90532557
Molecular FormulaC21H25N5O5S2
Molecular Weight491.60 g/mol
Exact Mass491.13
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4cc(OC)ccc4OC)nn3C)sc2C1
InChIInChI=1S/C21H25N5O5S2/c1-5-33(28,29)26-9-8-15-19(12-26)32-21(22-15)23-20(27)17-11-16(24-25(17)2)14-10-13(30-3)6-7-18(14)31-4/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,22,23,27)
InChIKeyNFMQIXUHMVIEQA-UHFFFAOYSA-N
XLogP2.52
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide with MolForge

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Related Compounds

N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide
CID 90532486
1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide
CID 90530891
N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526133
1-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3-methoxyphenyl)urea
CID 90532581
1-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4-methoxyphenyl)methyl]urea
CID 90532599
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide
CID 90532430
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 90532370
3,4,5-triethoxy-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532439
N-[5-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526603
2-bromo-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532446
N-[5-(2,5-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531434
2-(4-chlorophenoxy)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
CID 90532472

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide (CID 90532557) is 3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide is CCS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4cc(OC)ccc4OC)nn3C)sc2C1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is NFMQIXUHMVIEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5S2/c1-5-33(28,29)26-9-8-15-19(12-26)32-21(22-15)23-20(27)17-11-16(24-25(17)2)14-10-13(30-3)6-7-18(14)31-4/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,22,23,27).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90532557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).