2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide

C15H13BrN2OS — CID 174333307

IUPAC2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide
SMILESNC(=O)C(c1ccc(Br)cc1)N1CSc2ccccc21
InChIInChI=1S/C15H13BrN2OS/c16-11-7-5-10(6-8-11)14(15(17)19)18-9-20-13-4-2-1-3-12(13)18/h1-8,14H,9H2,(H2,17,19)
InChIKeyGZEKPCOQEGVFPF-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.55
Rot. Bonds3

About 2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide

2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide (PubChem CID 174333307) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide
PubChem CID174333307
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide
SMILESNC(=O)C(c1ccc(Br)cc1)N1CSc2ccccc21
InChIInChI=1S/C15H13BrN2OS/c16-11-7-5-10(6-8-11)14(15(17)19)18-9-20-13-4-2-1-3-12(13)18/h1-8,14H,9H2,(H2,17,19)
InChIKeyGZEKPCOQEGVFPF-UHFFFAOYSA-N
XLogP3.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide?
The IUPAC name of 2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide (CID 174333307) is 2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide is NC(=O)C(c1ccc(Br)cc1)N1CSc2ccccc21.
What is the InChIKey of 2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide?
The InChIKey is GZEKPCOQEGVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c16-11-7-5-10(6-8-11)14(15(17)19)18-9-20-13-4-2-1-3-12(13)18/h1-8,14H,9H2,(H2,17,19).
What are the key properties of 2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide?
2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide has a molecular weight of 349.25 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,3-benzothiazol-3-yl)-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 174333307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).