4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole

C10H6BrCl2NS — CID 22087237

IUPAC4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole
SMILESCc1snc(-c2ccc(Cl)cc2Cl)c1Br
InChIInChI=1S/C10H6BrCl2NS/c1-5-9(11)10(14-15-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3
InChIKeyUVKKCBVOXVNJDE-UHFFFAOYSA-N
MW323.04 g/mol
LogP5.19
Rot. Bonds1

About 4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole

4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole (PubChem CID 22087237) has the molecular formula C10H6BrCl2NS and a molecular weight of 323.04 g/mol. Its IUPAC name is 4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole.

Molecular Properties

Compound Name4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole
PubChem CID22087237
Molecular FormulaC10H6BrCl2NS
Molecular Weight323.04 g/mol
Exact Mass320.88
IUPAC Name4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole
SMILESCc1snc(-c2ccc(Cl)cc2Cl)c1Br
InChIInChI=1S/C10H6BrCl2NS/c1-5-9(11)10(14-15-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3
InChIKeyUVKKCBVOXVNJDE-UHFFFAOYSA-N
XLogP5.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.04
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole with MolForge

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

Launch Full Analysis

Related Compounds

3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride
CID 154099500
2-(2,4-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 170837737
2-(2,4-dichlorophenyl)-3,5-dimethylpyridine
CID 12513322
2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58094854
1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 11296283
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine
CID 133088206
3-(2,4-dichlorophenyl)-2,5-dimethyl-1-oxidopyrazin-1-ium
CID 22147291
4-(2-chloro-4-methylphenyl)-5-methylthiadiazole
CID 71017980
4-(2,4-dichlorophenyl)-1,3-thiazole
CID 4009904
[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine
CID 84610147
4-(2,4-dichlorophenyl)-5-(4-methylphenyl)sulfinylthiadiazole
CID 1474067

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole?
The IUPAC name of 4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole (CID 22087237) is 4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole.
What is the SMILES notation for 4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole?
The canonical SMILES for 4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole is Cc1snc(-c2ccc(Cl)cc2Cl)c1Br.
What is the InChIKey of 4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole?
The InChIKey is UVKKCBVOXVNJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2NS/c1-5-9(11)10(14-15-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3.
What are the key properties of 4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole?
4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole has a molecular weight of 323.04 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole is sourced from PubChem (CID 22087237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).