2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide

C6H11BrN2OS — CID 173084029

IUPAC2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide
SMILESBr.CC1=CSCN1CC(N)=O
InChIInChI=1S/C6H10N2OS.BrH/c1-5-3-10-4-8(5)2-6(7)9;/h3H,2,4H2,1H3,(H2,7,9);1H
InChIKeyNOCCCXRGQXMCMU-UHFFFAOYSA-N
MW239.14 g/mol
LogP0.92
Rot. Bonds2

About 2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide

2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide (PubChem CID 173084029) has the molecular formula C6H11BrN2OS and a molecular weight of 239.14 g/mol. Its IUPAC name is 2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide.

Molecular Properties

Compound Name2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide
PubChem CID173084029
Molecular FormulaC6H11BrN2OS
Molecular Weight239.14 g/mol
Exact Mass237.98
IUPAC Name2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide
SMILESBr.CC1=CSCN1CC(N)=O
InChIInChI=1S/C6H10N2OS.BrH/c1-5-3-10-4-8(5)2-6(7)9;/h3H,2,4H2,1H3,(H2,7,9);1H
InChIKeyNOCCCXRGQXMCMU-UHFFFAOYSA-N
XLogP0.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide?
The IUPAC name of 2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide (CID 173084029) is 2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide.
What is the SMILES notation for 2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide?
The canonical SMILES for 2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide is Br.CC1=CSCN1CC(N)=O.
What is the InChIKey of 2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide?
The InChIKey is NOCCCXRGQXMCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS.BrH/c1-5-3-10-4-8(5)2-6(7)9;/h3H,2,4H2,1H3,(H2,7,9);1H.
What are the key properties of 2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide?
2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide has a molecular weight of 239.14 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide is sourced from PubChem (CID 173084029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).