5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide

C16H15BrN4O3S2 — CID 2147980

IUPAC5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
SMILESCCCNS(=O)(=O)c1ccc2nc(NC(=O)c3cncc(Br)c3)sc2c1
InChIInChI=1S/C16H15BrN4O3S2/c1-2-5-19-26(23,24)12-3-4-13-14(7-12)25-16(20-13)21-15(22)10-6-11(17)9-18-8-10/h3-4,6-9,19H,2,5H2,1H3,(H,20,21,22)
InChIKeyYCKXFLIDEAFHPO-UHFFFAOYSA-N
MW455.36 g/mol
LogP3.39
Rot. Bonds6

About 5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide

5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide (PubChem CID 2147980) has the molecular formula C16H15BrN4O3S2 and a molecular weight of 455.36 g/mol. Its IUPAC name is 5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
PubChem CID2147980
Molecular FormulaC16H15BrN4O3S2
Molecular Weight455.36 g/mol
Exact Mass453.98
IUPAC Name5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
SMILESCCCNS(=O)(=O)c1ccc2nc(NC(=O)c3cncc(Br)c3)sc2c1
InChIInChI=1S/C16H15BrN4O3S2/c1-2-5-19-26(23,24)12-3-4-13-14(7-12)25-16(20-13)21-15(22)10-6-11(17)9-18-8-10/h3-4,6-9,19H,2,5H2,1H3,(H,20,21,22)
InChIKeyYCKXFLIDEAFHPO-UHFFFAOYSA-N
XLogP3.39
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 1188159
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 734500
3-bromo-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167861031
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 993374
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
3,4,5-triethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3615359
N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide
CID 17484062
2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5007269
4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3591335
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 3457771
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide (CID 2147980) is 5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide is CCCNS(=O)(=O)c1ccc2nc(NC(=O)c3cncc(Br)c3)sc2c1.
What is the InChIKey of 5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is YCKXFLIDEAFHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O3S2/c1-2-5-19-26(23,24)12-3-4-13-14(7-12)25-16(20-13)21-15(22)10-6-11(17)9-18-8-10/h3-4,6-9,19H,2,5H2,1H3,(H,20,21,22).
What are the key properties of 5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide?
5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 455.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2147980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).