4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione

C10H8BrNOS2 — CID 82308460

IUPAC4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione
SMILESCOc1ccc(-c2csc(=S)[nH]2)cc1Br
InChIInChI=1S/C10H8BrNOS2/c1-13-9-3-2-6(4-7(9)11)8-5-15-10(14)12-8/h2-5H,1H3,(H,12,14)
InChIKeyAFCSJHRZBINXML-UHFFFAOYSA-N
MW302.22 g/mol
LogP4.24
Rot. Bonds2

About 4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione

4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione (PubChem CID 82308460) has the molecular formula C10H8BrNOS2 and a molecular weight of 302.22 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione
PubChem CID82308460
Molecular FormulaC10H8BrNOS2
Molecular Weight302.22 g/mol
Exact Mass300.92
IUPAC Name4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione
SMILESCOc1ccc(-c2csc(=S)[nH]2)cc1Br
InChIInChI=1S/C10H8BrNOS2/c1-13-9-3-2-6(4-7(9)11)8-5-15-10(14)12-8/h2-5H,1H3,(H,12,14)
InChIKeyAFCSJHRZBINXML-UHFFFAOYSA-N
XLogP4.24
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione 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

4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one
CID 82094499
2-(3-bromo-4-methoxyphenyl)-1H-indole
CID 82050099
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione
CID 95474697
[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965884
2-(3-bromo-4-methoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole
CID 141073920
2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole
CID 116965317
1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888189
2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110534918
4-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzoic acid
CID 22124312
2-(3-bromo-4-methoxyphenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116888995

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione (CID 82308460) is 4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione is COc1ccc(-c2csc(=S)[nH]2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione?
The InChIKey is AFCSJHRZBINXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS2/c1-13-9-3-2-6(4-7(9)11)8-5-15-10(14)12-8/h2-5H,1H3,(H,12,14).
What are the key properties of 4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione?
4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione has a molecular weight of 302.22 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 82308460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).