N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide

C16H13BrN2O2S — CID 43952170

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2nc3ccc(Br)cc3s2)c1
InChIInChI=1S/C16H13BrN2O2S/c1-10-3-2-4-12(7-10)21-9-15(20)19-16-18-13-6-5-11(17)8-14(13)22-16/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyDJXYGQQZHMVZLC-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.38
Rot. Bonds4

About N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide

N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 43952170) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
PubChem CID43952170
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2nc3ccc(Br)cc3s2)c1
InChIInChI=1S/C16H13BrN2O2S/c1-10-3-2-4-12(7-10)21-9-15(20)19-16-18-13-6-5-11(17)8-14(13)22-16/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyDJXYGQQZHMVZLC-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 17410216
2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2701448
2-(3-acetamidophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18870050
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
2-(3-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 16551900
N-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-2-(3-methylphenoxy)acetamide
CID 20931027
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 7919939
2-(2,6-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1020058
4-(4-bromophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 7919920
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide (CID 43952170) is N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2nc3ccc(Br)cc3s2)c1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is DJXYGQQZHMVZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-10-3-2-4-12(7-10)21-9-15(20)19-16-18-13-6-5-11(17)8-14(13)22-16/h2-8H,9H2,1H3,(H,18,19,20).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 377.26 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 43952170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).