4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide

C14H8BrClN2OS — CID 4570143

IUPAC4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)c1ccc(Br)cc1
InChIInChI=1S/C14H8BrClN2OS/c15-9-6-4-8(5-7-9)13(19)18-14-17-12-10(16)2-1-3-11(12)20-14/h1-7H,(H,17,18,19)
InChIKeyLOPYVJWCVUTQPX-UHFFFAOYSA-N
MW367.66 g/mol
LogP4.96
Rot. Bonds2

About 4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide

4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 4570143) has the molecular formula C14H8BrClN2OS and a molecular weight of 367.66 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
PubChem CID4570143
Molecular FormulaC14H8BrClN2OS
Molecular Weight367.66 g/mol
Exact Mass365.92
IUPAC Name4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)c1ccc(Br)cc1
InChIInChI=1S/C14H8BrClN2OS/c15-9-6-4-8(5-7-9)13(19)18-14-17-12-10(16)2-1-3-11(12)20-14/h1-7H,(H,17,18,19)
InChIKeyLOPYVJWCVUTQPX-UHFFFAOYSA-N
XLogP4.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7565735
N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 155519709
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-chloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 953877
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 91680524
N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 16831189
1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 46193181
N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethylbenzamide
CID 3960818
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3575126

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide (CID 4570143) is 4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is LOPYVJWCVUTQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2OS/c15-9-6-4-8(5-7-9)13(19)18-14-17-12-10(16)2-1-3-11(12)20-14/h1-7H,(H,17,18,19).
What are the key properties of 4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide?
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 367.66 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4570143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).