N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide

C15H8BrN3OS2 — CID 7189855

IUPACN-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nc2c(Br)cccc2s1)c1nc2ccccc2s1
InChIInChI=1S/C15H8BrN3OS2/c16-8-4-3-7-11-12(8)18-15(22-11)19-13(20)14-17-9-5-1-2-6-10(9)21-14/h1-7H,(H,18,19,20)
InChIKeyMXJAKZSUZXWYLX-UHFFFAOYSA-N
MW390.29 g/mol
LogP4.92
Rot. Bonds2

About N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide

N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 7189855) has the molecular formula C15H8BrN3OS2 and a molecular weight of 390.29 g/mol. Its IUPAC name is N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID7189855
Molecular FormulaC15H8BrN3OS2
Molecular Weight390.29 g/mol
Exact Mass388.93
IUPAC NameN-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nc2c(Br)cccc2s1)c1nc2ccccc2s1
InChIInChI=1S/C15H8BrN3OS2/c16-8-4-3-7-11-12(8)18-15(22-11)19-13(20)14-17-9-5-1-2-6-10(9)21-14/h1-7H,(H,18,19,20)
InChIKeyMXJAKZSUZXWYLX-UHFFFAOYSA-N
XLogP4.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695
N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 7202712
N-(4-bromo-1,3-benzothiazol-2-yl)-2-[2-[(4-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethoxy]acetamide
CID 43989383
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7203050
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
1-(4-bromo-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 121080985
2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615172
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 30715657
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide (CID 7189855) is N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide is O=C(Nc1nc2c(Br)cccc2s1)c1nc2ccccc2s1.
What is the InChIKey of N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is MXJAKZSUZXWYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN3OS2/c16-8-4-3-7-11-12(8)18-15(22-11)19-13(20)14-17-9-5-1-2-6-10(9)21-14/h1-7H,(H,18,19,20).
What are the key properties of N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?
N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 390.29 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 7189855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).