N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide

C17H14BrN3O3S — CID 17410216

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C17H14BrN3O3S/c18-11-6-7-13-14(8-11)25-17(20-13)21-15(22)9-19-16(23)10-24-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,23)(H,20,21,22)
InChIKeyNIFBCWVASNHORA-UHFFFAOYSA-N
MW420.29 g/mol
LogP3.19
Rot. Bonds6

About N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide

N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 17410216) has the molecular formula C17H14BrN3O3S and a molecular weight of 420.29 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID17410216
Molecular FormulaC17H14BrN3O3S
Molecular Weight420.29 g/mol
Exact Mass418.99
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C17H14BrN3O3S/c18-11-6-7-13-14(8-11)25-17(20-13)21-15(22)9-19-16(23)10-24-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,23)(H,20,21,22)
InChIKeyNIFBCWVASNHORA-UHFFFAOYSA-N
XLogP3.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43952170
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3315961
2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 2550667
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 4162371
N-(1,3-benzothiazol-2-yl)-4-(3-bromophenoxy)butanamide
CID 2677009
4-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 16823694
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7203050
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2701448

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide (CID 17410216) is N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide is O=C(COc1ccccc1)NCC(=O)Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is NIFBCWVASNHORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3S/c18-11-6-7-13-14(8-11)25-17(20-13)21-15(22)9-19-16(23)10-24-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,23)(H,20,21,22).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 420.29 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 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)-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 17410216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).