4-bromo-3,5-dimethyl-2H-1,3-thiazole

C5H8BrNS — CID 146392828

IUPAC4-bromo-3,5-dimethyl-2H-1,3-thiazole
SMILESCC1=C(Br)N(C)CS1
InChIInChI=1S/C5H8BrNS/c1-4-5(6)7(2)3-8-4/h3H2,1-2H3
InChIKeyDXANJYQAHXLCCV-UHFFFAOYSA-N
MW194.10 g/mol
LogP2.21
Rot. Bonds

About 4-bromo-3,5-dimethyl-2H-1,3-thiazole

4-bromo-3,5-dimethyl-2H-1,3-thiazole (PubChem CID 146392828) has the molecular formula C5H8BrNS and a molecular weight of 194.10 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-2H-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-2H-1,3-thiazole
PubChem CID146392828
Molecular FormulaC5H8BrNS
Molecular Weight194.10 g/mol
Exact Mass192.96
IUPAC Name4-bromo-3,5-dimethyl-2H-1,3-thiazole
SMILESCC1=C(Br)N(C)CS1
InChIInChI=1S/C5H8BrNS/c1-4-5(6)7(2)3-8-4/h3H2,1-2H3
InChIKeyDXANJYQAHXLCCV-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.10
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-bromo-3,5-dimethyl-2H-1,3-thiazole 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 4-bromo-3,5-dimethyl-2H-1,3-thiazole?
The IUPAC name of 4-bromo-3,5-dimethyl-2H-1,3-thiazole (CID 146392828) is 4-bromo-3,5-dimethyl-2H-1,3-thiazole.
What is the SMILES notation for 4-bromo-3,5-dimethyl-2H-1,3-thiazole?
The canonical SMILES for 4-bromo-3,5-dimethyl-2H-1,3-thiazole is CC1=C(Br)N(C)CS1.
What is the InChIKey of 4-bromo-3,5-dimethyl-2H-1,3-thiazole?
The InChIKey is DXANJYQAHXLCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrNS/c1-4-5(6)7(2)3-8-4/h3H2,1-2H3.
What are the key properties of 4-bromo-3,5-dimethyl-2H-1,3-thiazole?
4-bromo-3,5-dimethyl-2H-1,3-thiazole has a molecular weight of 194.10 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-2H-1,3-thiazole is sourced from PubChem (CID 146392828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).