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

C15H17BrN4O3S2 — CID 90532994

IUPAC4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
SMILESCN(C)S(=O)(=O)N1CCc2nc(NC(=O)c3ccc(Br)cc3)sc2C1
InChIInChI=1S/C15H17BrN4O3S2/c1-19(2)25(22,23)20-8-7-12-13(9-20)24-15(17-12)18-14(21)10-3-5-11(16)6-4-10/h3-6H,7-9H2,1-2H3,(H,17,18,21)
InChIKeyIHHDXNZSQBKECA-UHFFFAOYSA-N
MW445.36 g/mol
LogP2.32
Rot. Bonds4

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

4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (PubChem CID 90532994) has the molecular formula C15H17BrN4O3S2 and a molecular weight of 445.36 g/mol. Its IUPAC name is 4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
PubChem CID90532994
Molecular FormulaC15H17BrN4O3S2
Molecular Weight445.36 g/mol
Exact Mass443.99
IUPAC Name4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
SMILESCN(C)S(=O)(=O)N1CCc2nc(NC(=O)c3ccc(Br)cc3)sc2C1
InChIInChI=1S/C15H17BrN4O3S2/c1-19(2)25(22,23)20-8-7-12-13(9-20)24-15(17-12)18-14(21)10-3-5-11(16)6-4-10/h3-6H,7-9H2,1-2H3,(H,17,18,21)
InChIKeyIHHDXNZSQBKECA-UHFFFAOYSA-N
XLogP2.32
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 90532967
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-4-carboxamide
CID 90533083
4-cyano-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 90533092
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1H-indole-6-carboxamide
CID 90533112
5-chloro-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90533102
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide
CID 90530814
3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90530911
1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90533144
4-(dimethylsulfamoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44826978
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-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 90533073
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (CID 90532994) is 4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is CN(C)S(=O)(=O)N1CCc2nc(NC(=O)c3ccc(Br)cc3)sc2C1.
What is the InChIKey of 4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The InChIKey is IHHDXNZSQBKECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O3S2/c1-19(2)25(22,23)20-8-7-12-13(9-20)24-15(17-12)18-14(21)10-3-5-11(16)6-4-10/h3-6H,7-9H2,1-2H3,(H,17,18,21).
What are the key properties of 4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide has a molecular weight of 445.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 90532994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).