2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid

C6H6BrNO2S — CID 83824395

IUPAC2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCc1nc(Br)c(CC(=O)O)s1
InChIInChI=1S/C6H6BrNO2S/c1-3-8-6(7)4(11-3)2-5(9)10/h2H2,1H3,(H,9,10)
InChIKeyYJVXFEJOTOJQCP-UHFFFAOYSA-N
MW236.09 g/mol
LogP1.84
Rot. Bonds2

About 2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid

2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 83824395) has the molecular formula C6H6BrNO2S and a molecular weight of 236.09 g/mol. Its IUPAC name is 2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid
PubChem CID83824395
Molecular FormulaC6H6BrNO2S
Molecular Weight236.09 g/mol
Exact Mass234.93
IUPAC Name2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCc1nc(Br)c(CC(=O)O)s1
InChIInChI=1S/C6H6BrNO2S/c1-3-8-6(7)4(11-3)2-5(9)10/h2H2,1H3,(H,9,10)
InChIKeyYJVXFEJOTOJQCP-UHFFFAOYSA-N
XLogP1.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid
CID 83824482
2-(2-methyl-4-nitro-1,3-thiazol-5-yl)acetic acid
CID 83881121
2-(5-amino-2-methyl-1,3-thiazol-4-yl)acetic acid
CID 83777548
2-[4-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 3159723
2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 2236513
2-(5-hexadecyl-2-methyl-1,3-thiazol-4-yl)acetic acid
CID 102100077
2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39362994
2-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 82092406
2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 79019725
2-[2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetic acid
CID 82069285
2-[2-(4-bromo-3,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 114329432
2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64662294

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid (CID 83824395) is 2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid is Cc1nc(Br)c(CC(=O)O)s1.
What is the InChIKey of 2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is YJVXFEJOTOJQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2S/c1-3-8-6(7)4(11-3)2-5(9)10/h2H2,1H3,(H,9,10).
What are the key properties of 2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid?
2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 236.09 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 83824395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).