N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide

C17H16BrN3O2S — CID 91680783

IUPACN-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(Br)c3nc(N)sc3c2)c1C
InChIInChI=1S/C17H16BrN3O2S/c1-9-4-3-5-13(10(9)2)23-8-15(22)20-11-6-12(18)16-14(7-11)24-17(19)21-16/h3-7H,8H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyWRQFLBLRLZUMIN-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.28
Rot. Bonds4

About N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide

N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 91680783) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide
PubChem CID91680783
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC NameN-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(Br)c3nc(N)sc3c2)c1C
InChIInChI=1S/C17H16BrN3O2S/c1-9-4-3-5-13(10(9)2)23-8-15(22)20-11-6-12(18)16-14(7-11)24-17(19)21-16/h3-7H,8H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyWRQFLBLRLZUMIN-UHFFFAOYSA-N
XLogP4.28
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 91680781
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
CID 91680729
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680806
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
CID 91680875
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1334409
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 720618
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid
CID 28675965
2-(2,3-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 35022382
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide (CID 91680783) is N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(Br)c3nc(N)sc3c2)c1C.
What is the InChIKey of N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is WRQFLBLRLZUMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c1-9-4-3-5-13(10(9)2)23-8-15(22)20-11-6-12(18)16-14(7-11)24-17(19)21-16/h3-7H,8H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide?
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 406.31 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 91680783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).