N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide

C16H9BrN4OS — CID 43952277

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)c1ccc2nccnc2c1
InChIInChI=1S/C16H9BrN4OS/c17-10-2-4-12-14(8-10)23-16(20-12)21-15(22)9-1-3-11-13(7-9)19-6-5-18-11/h1-8H,(H,20,21,22)
InChIKeyBKWBCTIYJFCGOT-UHFFFAOYSA-N
MW385.25 g/mol
LogP4.25
Rot. Bonds2

About N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide

N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide (PubChem CID 43952277) has the molecular formula C16H9BrN4OS and a molecular weight of 385.25 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
PubChem CID43952277
Molecular FormulaC16H9BrN4OS
Molecular Weight385.25 g/mol
Exact Mass383.97
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)c1ccc2nccnc2c1
InChIInChI=1S/C16H9BrN4OS/c17-10-2-4-12-14(8-10)23-16(20-12)21-15(22)9-1-3-11-13(7-9)19-6-5-18-11/h1-8H,(H,20,21,22)
InChIKeyBKWBCTIYJFCGOT-UHFFFAOYSA-N
XLogP4.25
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 121082888
N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 2983645
N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide
CID 143038255
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
3-bromo-N-[6-(1,2,4-triazol-4-yl)-1,3-benzothiazol-2-yl]benzamide
CID 50878727
[(6-bromo-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid
CID 23907634
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide
CID 130288197
N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 10571376
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 4133136
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide (CID 43952277) is N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide is O=C(Nc1nc2ccc(Br)cc2s1)c1ccc2nccnc2c1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
The InChIKey is BKWBCTIYJFCGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN4OS/c17-10-2-4-12-14(8-10)23-16(20-12)21-15(22)9-1-3-11-13(7-9)19-6-5-18-11/h1-8H,(H,20,21,22).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide?
N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide has a molecular weight of 385.25 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 43952277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).