2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole

C7H10BrNO2S2 — CID 117192612

IUPAC2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
SMILESCC(C)S(=O)(=O)Cc1cnc(Br)s1
InChIInChI=1S/C7H10BrNO2S2/c1-5(2)13(10,11)4-6-3-9-7(8)12-6/h3,5H,4H2,1-2H3
InChIKeyQXBWXNUEDLZTRH-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.23
Rot. Bonds3

About 2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole

2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole (PubChem CID 117192612) has the molecular formula C7H10BrNO2S2 and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
PubChem CID117192612
Molecular FormulaC7H10BrNO2S2
Molecular Weight284.20 g/mol
Exact Mass282.93
IUPAC Name2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
SMILESCC(C)S(=O)(=O)Cc1cnc(Br)s1
InChIInChI=1S/C7H10BrNO2S2/c1-5(2)13(10,11)4-6-3-9-7(8)12-6/h3,5H,4H2,1-2H3
InChIKeyQXBWXNUEDLZTRH-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole
CID 117192611
2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole
CID 130153728
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole
CID 82191043
4-(2-bromo-1,3-thiazol-5-yl)butan-2-one
CID 133063627
2-bromo-5-(2-methoxyethyl)-1,3-thiazole
CID 117259730
2-(2-bromo-1,3-thiazol-5-yl)acetic acid
CID 71721405
(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine
CID 96955798
4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine
CID 117216202
1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole
CID 117188344
ethyl 2-amino-3-(2-bromo-1,3-thiazol-5-yl)propanoate
CID 170884990

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole (CID 117192612) is 2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole is CC(C)S(=O)(=O)Cc1cnc(Br)s1.
What is the InChIKey of 2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole?
The InChIKey is QXBWXNUEDLZTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO2S2/c1-5(2)13(10,11)4-6-3-9-7(8)12-6/h3,5H,4H2,1-2H3.
What are the key properties of 2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole?
2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole has a molecular weight of 284.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 117192612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).