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

C14H14BrN3O3S2 — CID 90530911

IUPAC3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)c3cccc(Br)c3)sc2C1
InChIInChI=1S/C14H14BrN3O3S2/c1-23(20,21)18-6-5-11-12(8-18)22-14(16-11)17-13(19)9-3-2-4-10(15)7-9/h2-4,7H,5-6,8H2,1H3,(H,16,17,19)
InChIKeyOSFMOTXXJUIHLQ-UHFFFAOYSA-N
MW416.32 g/mol
LogP2.48
Rot. Bonds3

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

3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 90530911) has the molecular formula C14H14BrN3O3S2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID90530911
Molecular FormulaC14H14BrN3O3S2
Molecular Weight416.32 g/mol
Exact Mass414.97
IUPAC Name3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)c3cccc(Br)c3)sc2C1
InChIInChI=1S/C14H14BrN3O3S2/c1-23(20,21)18-6-5-11-12(8-18)22-14(16-11)17-13(19)9-3-2-4-10(15)7-9/h2-4,7H,5-6,8H2,1H3,(H,16,17,19)
InChIKeyOSFMOTXXJUIHLQ-UHFFFAOYSA-N
XLogP2.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 27421670
N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 90530919
1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide
CID 90530891
4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 90532994
2-chloro-6-fluoro-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 71788247
2-methylsulfanyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90530958
1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)triazole-4-carboxamide
CID 71788261
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide
CID 50832606
2-bromo-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532446
3-bromo-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930045
1-(4-chlorophenyl)-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 90530991
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1H-indole-6-carboxamide
CID 90533112

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 90530911) is 3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is CS(=O)(=O)N1CCc2nc(NC(=O)c3cccc(Br)c3)sc2C1.
What is the InChIKey of 3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is OSFMOTXXJUIHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S2/c1-23(20,21)18-6-5-11-12(8-18)22-14(16-11)17-13(19)9-3-2-4-10(15)7-9/h2-4,7H,5-6,8H2,1H3,(H,16,17,19).
What are the key properties of 3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 416.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 90530911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).