N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C19H23N5O4S2 — CID 90533052

IUPACN-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCc2nc(NC(=O)C3CC(=O)N(c4ccccc4)C3)sc2C1
InChIInChI=1S/C19H23N5O4S2/c1-22(2)30(27,28)23-9-8-15-16(12-23)29-19(20-15)21-18(26)13-10-17(25)24(11-13)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,20,21,26)
InChIKeyXUZHWLIQNXFCKT-UHFFFAOYSA-N
MW449.56 g/mol
LogP1.30
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 90533052) has the molecular formula C19H23N5O4S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID90533052
Molecular FormulaC19H23N5O4S2
Molecular Weight449.56 g/mol
Exact Mass449.12
IUPAC NameN-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCc2nc(NC(=O)C3CC(=O)N(c4ccccc4)C3)sc2C1
InChIInChI=1S/C19H23N5O4S2/c1-22(2)30(27,28)23-9-8-15-16(12-23)29-19(20-15)21-18(26)13-10-17(25)24(11-13)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,20,21,26)
InChIKeyXUZHWLIQNXFCKT-UHFFFAOYSA-N
XLogP1.30
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90530950
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90533054
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90543641
1-(4-chlorophenyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90530792
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 90533073
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-4-carboxamide
CID 90533083
(3R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33039214
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 90532967
(3S)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 41029753
N-(1,3-benzothiazol-2-yl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 45490957
1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(2-methoxyphenyl)urea
CID 90533125
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-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 90533052) is N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CN(C)S(=O)(=O)N1CCc2nc(NC(=O)C3CC(=O)N(c4ccccc4)C3)sc2C1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is XUZHWLIQNXFCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S2/c1-22(2)30(27,28)23-9-8-15-16(12-23)29-19(20-15)21-18(26)13-10-17(25)24(11-13)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,20,21,26).
What are the key properties of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 90533052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).