2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole

C5H5Br2NO2S2 — CID 130139820

IUPAC2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole
SMILESCS(=O)(=O)Cc1nc(Br)sc1Br
InChIInChI=1S/C5H5Br2NO2S2/c1-12(9,10)2-3-4(6)11-5(7)8-3/h2H2,1H3
InChIKeyPXXJLEAHNDLQJV-UHFFFAOYSA-N
MW335.04 g/mol
LogP2.21
Rot. Bonds2

About 2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole

2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole (PubChem CID 130139820) has the molecular formula C5H5Br2NO2S2 and a molecular weight of 335.04 g/mol. Its IUPAC name is 2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole
PubChem CID130139820
Molecular FormulaC5H5Br2NO2S2
Molecular Weight335.04 g/mol
Exact Mass332.81
IUPAC Name2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole
SMILESCS(=O)(=O)Cc1nc(Br)sc1Br
InChIInChI=1S/C5H5Br2NO2S2/c1-12(9,10)2-3-4(6)11-5(7)8-3/h2H2,1H3
InChIKeyPXXJLEAHNDLQJV-UHFFFAOYSA-N
XLogP2.21
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole
CID 82426410
5-chloro-4-(methylsulfonylmethyl)thiadiazole
CID 130992217
(2-bromo-5-methyl-1,3-thiazol-4-yl)methanol
CID 58127549
4-(2-methylpropyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114360459
5-bromo-4-chloro-6-methyl-2-(methylsulfonylmethyl)pyrimidine
CID 66294559
4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole
CID 52602693
1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone
CID 82440757
[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanethiol
CID 82436819
4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide
CID 82429378
2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
CID 82432189
2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438893
5-chloro-4-methyl-2-methylsulfanyl-6-(methylsulfonylmethyl)pyrimidine
CID 77230708

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole (CID 130139820) is 2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole is CS(=O)(=O)Cc1nc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole?
The InChIKey is PXXJLEAHNDLQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2NO2S2/c1-12(9,10)2-3-4(6)11-5(7)8-3/h2H2,1H3.
What are the key properties of 2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole?
2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole has a molecular weight of 335.04 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 130139820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).