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

C17H19N3O5S2 — CID 90532709

IUPACN-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)S(=O)(=O)N1CCc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C1
InChIInChI=1S/C17H19N3O5S2/c1-10(2)27(22,23)20-6-5-12-15(8-20)26-17(18-12)19-16(21)11-3-4-13-14(7-11)25-9-24-13/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,18,19,21)
InChIKeySSDPMQNARWYBOO-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.22
Rot. Bonds4

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

N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 90532709) has the molecular formula C17H19N3O5S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID90532709
Molecular FormulaC17H19N3O5S2
Molecular Weight409.49 g/mol
Exact Mass409.08
IUPAC NameN-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)S(=O)(=O)N1CCc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C1
InChIInChI=1S/C17H19N3O5S2/c1-10(2)27(22,23)20-6-5-12-15(8-20)26-17(18-12)19-16(21)11-3-4-13-14(7-11)25-9-24-13/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,18,19,21)
InChIKeySSDPMQNARWYBOO-UHFFFAOYSA-N
XLogP2.22
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 29199692
4-fluoro-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532715
4-cyano-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532820
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 41107119
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-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 90527746
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-yloxybenzamide
CID 90532430
2-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 90532797
2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532812
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 90532967
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 71788168
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-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide (CID 90532709) is N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide is CC(C)S(=O)(=O)N1CCc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C1.
What is the InChIKey of N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is SSDPMQNARWYBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S2/c1-10(2)27(22,23)20-6-5-12-15(8-20)26-17(18-12)19-16(21)11-3-4-13-14(7-11)25-9-24-13/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide?
N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 90532709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).