5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C13H8BrClN2OS2 — CID 3438297

IUPAC5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCc1cc(Cl)cc2sc(NC(=O)c3ccc(Br)s3)nc12
InChIInChI=1S/C13H8BrClN2OS2/c1-6-4-7(15)5-9-11(6)16-13(20-9)17-12(18)8-2-3-10(14)19-8/h2-5H,1H3,(H,16,17,18)
InChIKeyYYSQOOJAGGTQLT-UHFFFAOYSA-N
MW387.71 g/mol
LogP5.33
Rot. Bonds2

About 5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 3438297) has the molecular formula C13H8BrClN2OS2 and a molecular weight of 387.71 g/mol. Its IUPAC name is 5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID3438297
Molecular FormulaC13H8BrClN2OS2
Molecular Weight387.71 g/mol
Exact Mass385.89
IUPAC Name5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCc1cc(Cl)cc2sc(NC(=O)c3ccc(Br)s3)nc12
InChIInChI=1S/C13H8BrClN2OS2/c1-6-4-7(15)5-9-11(6)16-13(20-9)17-12(18)8-2-3-10(14)19-8/h2-5H,1H3,(H,16,17,18)
InChIKeyYYSQOOJAGGTQLT-UHFFFAOYSA-N
XLogP5.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.71
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 42387615
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43989210
(2R)-2-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 28662156
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43989202
5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 25318982
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide
CID 55769726
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 42387687
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254759
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18560797
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 5003139
3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 121041666
4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 3567285

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 3438297) is 5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is Cc1cc(Cl)cc2sc(NC(=O)c3ccc(Br)s3)nc12.
What is the InChIKey of 5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is YYSQOOJAGGTQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2OS2/c1-6-4-7(15)5-9-11(6)16-13(20-9)17-12(18)8-2-3-10(14)19-8/h2-5H,1H3,(H,16,17,18).
What are the key properties of 5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 387.71 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3438297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).