4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid

C9H6BrNO2S2 — CID 82135226

IUPAC4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(Br)s2)c(C(=O)O)s1
InChIInChI=1S/C9H6BrNO2S2/c1-4-11-7(8(14-4)9(12)13)5-2-3-6(10)15-5/h2-3H,1H3,(H,12,13)
InChIKeyNPOANEIWQRESLM-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.64
Rot. Bonds2

About 4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid

4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82135226) has the molecular formula C9H6BrNO2S2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID82135226
Molecular FormulaC9H6BrNO2S2
Molecular Weight304.19 g/mol
Exact Mass302.90
IUPAC Name4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(Br)s2)c(C(=O)O)s1
InChIInChI=1S/C9H6BrNO2S2/c1-4-11-7(8(14-4)9(12)13)5-2-3-6(10)15-5/h2-3H,1H3,(H,12,13)
InChIKeyNPOANEIWQRESLM-UHFFFAOYSA-N
XLogP3.64
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226681
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
4-(2,6-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 131867670
4-(2-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 131867410
4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226719
2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359674
2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 90854958
5-(5-bromothiophen-2-yl)-2H-triazole-4-carboxylic acid
CID 83665111
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 82306715
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid (CID 82135226) is 4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccc(Br)s2)c(C(=O)O)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is NPOANEIWQRESLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2S2/c1-4-11-7(8(14-4)9(12)13)5-2-3-6(10)15-5/h2-3H,1H3,(H,12,13).
What are the key properties of 4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid?
4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 304.19 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-2-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82135226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).