2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole

C6H8BrNO2S2 — CID 117192611

IUPAC2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole
SMILESCCS(=O)(=O)Cc1cnc(Br)s1
InChIInChI=1S/C6H8BrNO2S2/c1-2-12(9,10)4-5-3-8-6(7)11-5/h3H,2,4H2,1H3
InChIKeyYGLVRRRKIHLMNL-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.84
Rot. Bonds3

About 2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole

2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole (PubChem CID 117192611) has the molecular formula C6H8BrNO2S2 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole
PubChem CID117192611
Molecular FormulaC6H8BrNO2S2
Molecular Weight270.17 g/mol
Exact Mass268.92
IUPAC Name2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole
SMILESCCS(=O)(=O)Cc1cnc(Br)s1
InChIInChI=1S/C6H8BrNO2S2/c1-2-12(9,10)4-5-3-8-6(7)11-5/h3H,2,4H2,1H3
InChIKeyYGLVRRRKIHLMNL-UHFFFAOYSA-N
XLogP1.84
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
CID 117192612
2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole
CID 130153728
4-(2-bromo-1,3-thiazol-5-yl)butan-2-one
CID 133063627
2-(2-bromo-1,3-thiazol-5-yl)acetic acid
CID 71721405
2-bromo-5-(2-methoxyethyl)-1,3-thiazole
CID 117259730
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
ethyl 2-amino-3-(2-bromo-1,3-thiazol-5-yl)propanoate
CID 170884990
1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine
CID 89060823
2-bromo-5-(3-methoxypropyl)-1,3-thiazole
CID 134456698
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
5-bromo-2-fluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylsulfonyl]benzoic acid
CID 63019066
4-bromo-2-(ethylsulfonylmethyl)-1-benzothiophene
CID 117172812

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole (CID 117192611) is 2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole is CCS(=O)(=O)Cc1cnc(Br)s1.
What is the InChIKey of 2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole?
The InChIKey is YGLVRRRKIHLMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2S2/c1-2-12(9,10)4-5-3-8-6(7)11-5/h3H,2,4H2,1H3.
What are the key properties of 2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole?
2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole has a molecular weight of 270.17 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 117192611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).