N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide

C14H9BrN2OS — CID 2093795

IUPACN-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc2ncsc2c1
InChIInChI=1S/C14H9BrN2OS/c15-10-2-4-11(5-3-10)17-14(18)9-1-6-12-13(7-9)19-8-16-12/h1-8H,(H,17,18)
InChIKeySLCTZCSIQHRSEA-UHFFFAOYSA-N
MW333.21 g/mol
LogP4.31
Rot. Bonds2

About N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide

N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 2093795) has the molecular formula C14H9BrN2OS and a molecular weight of 333.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID2093795
Molecular FormulaC14H9BrN2OS
Molecular Weight333.21 g/mol
Exact Mass331.96
IUPAC NameN-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc2ncsc2c1
InChIInChI=1S/C14H9BrN2OS/c15-10-2-4-11(5-3-10)17-14(18)9-1-6-12-13(7-9)19-8-16-12/h1-8H,(H,17,18)
InChIKeySLCTZCSIQHRSEA-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712463
N-(4-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712465
N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712469
2-Methyl-benzothiazole-6-carboxylic acid (4-acetyl-phenyl)-amide
CID 1085966
N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092996
N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
CID 2096442
N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 2738140
N-(2,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 2821813
1,3-Benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 24981621
1,3-Benzothiazol-6-yl(piperidin-1-yl)methanone
CID 6710452
N-methyl-1,3-benzothiazole-6-carboxamide
CID 22103788

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide (CID 2093795) is N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccc2ncsc2c1.
What is the InChIKey of N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is SLCTZCSIQHRSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS/c15-10-2-4-11(5-3-10)17-14(18)9-1-6-12-13(7-9)19-8-16-12/h1-8H,(H,17,18).
What are the key properties of N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide?
N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 333.21 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2093795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).