2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide

C11H9BrN2OS — CID 47182345

IUPAC2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCN(C(=O)c1ccccc1Br)c1nccs1
InChIInChI=1S/C11H9BrN2OS/c1-14(11-13-6-7-16-11)10(15)8-4-2-3-5-9(8)12/h2-7H,1H3
InChIKeyJZPDMNVECZFDHE-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.18
Rot. Bonds2

About 2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide

2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 47182345) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID47182345
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCN(C(=O)c1ccccc1Br)c1nccs1
InChIInChI=1S/C11H9BrN2OS/c1-14(11-13-6-7-16-11)10(15)8-4-2-3-5-9(8)12/h2-7H,1H3
InChIKeyJZPDMNVECZFDHE-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide (CID 47182345) is 2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide is CN(C(=O)c1ccccc1Br)c1nccs1.
What is the InChIKey of 2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is JZPDMNVECZFDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c1-14(11-13-6-7-16-11)10(15)8-4-2-3-5-9(8)12/h2-7H,1H3.
What are the key properties of 2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide?
2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 297.18 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 47182345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).