5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole

C7H10BrNO2S2 — CID 82426410

IUPAC5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole
SMILESCc1nc(CS(C)(=O)=O)sc1CBr
InChIInChI=1S/C7H10BrNO2S2/c1-5-6(3-8)12-7(9-5)4-13(2,10)11/h3-4H2,1-2H3
InChIKeyYODBEQFTCFRABE-UHFFFAOYSA-N
MW284.20 g/mol
LogP1.89
Rot. Bonds3

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

5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole (PubChem CID 82426410) has the molecular formula C7H10BrNO2S2 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole
PubChem CID82426410
Molecular FormulaC7H10BrNO2S2
Molecular Weight284.20 g/mol
Exact Mass282.93
IUPAC Name5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole
SMILESCc1nc(CS(C)(=O)=O)sc1CBr
InChIInChI=1S/C7H10BrNO2S2/c1-5-6(3-8)12-7(9-5)4-13(2,10)11/h3-4H2,1-2H3
InChIKeyYODBEQFTCFRABE-UHFFFAOYSA-N
XLogP1.89
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62472745
[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434467
[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanethiol
CID 82436819
N-[[2-(ethylsulfonylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82426424
N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82193645
5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
CID 82427860
N-[[2-(methylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113497294
N-[[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82434472
2-methoxy-N-[[4-methyl-2-(propan-2-ylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82426453
2,5-dibromo-4-(methylsulfonylmethyl)-1,3-thiazole
CID 130139820
N-[[4-methyl-2-(propan-2-ylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82426448
2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438893

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole (CID 82426410) is 5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole is Cc1nc(CS(C)(=O)=O)sc1CBr.
What is the InChIKey of 5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole?
The InChIKey is YODBEQFTCFRABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO2S2/c1-5-6(3-8)12-7(9-5)4-13(2,10)11/h3-4H2,1-2H3.
What are the key properties of 5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole?
5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole has a molecular weight of 284.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 82426410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).