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

C16H13BrN2OS — CID 7202745

IUPAC3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1cccc2sc(NC(=O)c3cccc(Br)c3)nc12
InChIInChI=1S/C16H13BrN2OS/c1-2-10-5-4-8-13-14(10)18-16(21-13)19-15(20)11-6-3-7-12(17)9-11/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyVZOLKXCKTBCDCD-UHFFFAOYSA-N
MW361.26 g/mol
LogP4.87
Rot. Bonds3

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

3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7202745) has the molecular formula C16H13BrN2OS and a molecular weight of 361.26 g/mol. Its IUPAC name is 3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7202745
Molecular FormulaC16H13BrN2OS
Molecular Weight361.26 g/mol
Exact Mass359.99
IUPAC Name3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1cccc2sc(NC(=O)c3cccc(Br)c3)nc12
InChIInChI=1S/C16H13BrN2OS/c1-2-10-5-4-8-13-14(10)18-16(21-13)19-15(20)11-6-3-7-12(17)9-11/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyVZOLKXCKTBCDCD-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 41235420
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanylbenzamide
CID 41147133
N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 7189824
3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 1085238
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 41235427
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 7202719
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41235388
(4-ethyl-1,3-benzothiazol-2-yl)thiourea
CID 30032212
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695
N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599930
3-bromo-N-[4-methoxy-6-(oxidoamino)-1,3-benzothiazol-2-yl]benzamide
CID 143038272

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide (CID 7202745) is 3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide is CCc1cccc2sc(NC(=O)c3cccc(Br)c3)nc12.
What is the InChIKey of 3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is VZOLKXCKTBCDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2OS/c1-2-10-5-4-8-13-14(10)18-16(21-13)19-15(20)11-6-3-7-12(17)9-11/h3-9H,2H2,1H3,(H,18,19,20).
What are the key properties of 3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide?
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 361.26 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7202745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).