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

C18H23N3O4S2 — CID 90532430

IUPACN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2C1
InChIInChI=1S/C18H23N3O4S2/c1-4-27(23,24)21-10-9-15-16(11-21)26-18(19-15)20-17(22)13-5-7-14(8-6-13)25-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,19,20,22)
InChIKeyYFSPOWAWJSTAQN-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.89
Rot. Bonds6

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

N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide (PubChem CID 90532430) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide
PubChem CID90532430
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC NameN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2C1
InChIInChI=1S/C18H23N3O4S2/c1-4-27(23,24)21-10-9-15-16(11-21)26-18(19-15)20-17(22)13-5-7-14(8-6-13)25-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,19,20,22)
InChIKeyYFSPOWAWJSTAQN-UHFFFAOYSA-N
XLogP2.89
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532439
4-fluoro-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532715
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide
CID 90532486
4-cyano-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532820
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 50832309
2-bromo-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532446
1-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4-methoxyphenyl)methyl]urea
CID 90532599
2-(4-chlorophenoxy)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
CID 90532472
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 90532967
4-ethoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827009
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 90532370
4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 90532994

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)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide (CID 90532430) is N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide is CCS(=O)(=O)N1CCc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2C1.
What is the InChIKey of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide?
The InChIKey is YFSPOWAWJSTAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-4-27(23,24)21-10-9-15-16(11-21)26-18(19-15)20-17(22)13-5-7-14(8-6-13)25-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,19,20,22).
What are the key properties of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide?
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide has a molecular weight of 409.53 g/mol, XLogP of 2.89, 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)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 90532430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).