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

C17H21N3O4S2 — CID 90532486

IUPACN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)Cc3ccc(OC)cc3)sc2C1
InChIInChI=1S/C17H21N3O4S2/c1-3-26(22,23)20-9-8-14-15(11-20)25-17(18-14)19-16(21)10-12-4-6-13(24-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,18,19,21)
InChIKeyFGVXQEVXCASYOQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.04
Rot. Bonds6

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

N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 90532486) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID90532486
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC NameN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)Cc3ccc(OC)cc3)sc2C1
InChIInChI=1S/C17H21N3O4S2/c1-3-26(22,23)20-9-8-14-15(11-20)25-17(18-14)19-16(21)10-12-4-6-13(24-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,18,19,21)
InChIKeyFGVXQEVXCASYOQ-UHFFFAOYSA-N
XLogP2.04
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4-methoxyphenyl)methyl]urea
CID 90532599
2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532812
1-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3-methoxyphenyl)urea
CID 90532581
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide
CID 90532385
2-(4-chlorophenoxy)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
CID 90532472
2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide
CID 90532430
3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 90532543
2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 50832384
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
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methylsulfonylphenyl)acetamide;hydrochloride
CID 44827099
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide
CID 90532413

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide (CID 90532486) is N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide is CCS(=O)(=O)N1CCc2nc(NC(=O)Cc3ccc(OC)cc3)sc2C1.
What is the InChIKey of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is FGVXQEVXCASYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-3-26(22,23)20-9-8-14-15(11-20)25-17(18-14)19-16(21)10-12-4-6-13(24-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,18,19,21).
What are the key properties of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide?
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 395.51 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 90532486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).