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

C9H5Br2NO3S — CID 62084807

IUPAC2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cc(Br)c(Br)o2)sc1C(=O)O
InChIInChI=1S/C9H5Br2NO3S/c1-3-6(9(13)14)16-8(12-3)5-2-4(10)7(11)15-5/h2H,1H3,(H,13,14)
InChIKeyFTCJXRPOLCZZMZ-UHFFFAOYSA-N
MW367.02 g/mol
LogP3.93
Rot. Bonds2

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

2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62084807) has the molecular formula C9H5Br2NO3S and a molecular weight of 367.02 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID62084807
Molecular FormulaC9H5Br2NO3S
Molecular Weight367.02 g/mol
Exact Mass364.84
IUPAC Name2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cc(Br)c(Br)o2)sc1C(=O)O
InChIInChI=1S/C9H5Br2NO3S/c1-3-6(9(13)14)16-8(12-3)5-2-4(10)7(11)15-5/h2H,1H3,(H,13,14)
InChIKeyFTCJXRPOLCZZMZ-UHFFFAOYSA-N
XLogP3.93
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.02
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 102842168
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43155311
2-(2-bromo-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 60926807
2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106817940
2-(3-ethyl-1-methylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 112670116
2-(3-bromo-4-butoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20990459
2-(3-aminophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58326660
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62308714
2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107124586
2-acetyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 71522241
2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 67684501
2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83969596

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 62084807) is 2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2cc(Br)c(Br)o2)sc1C(=O)O.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is FTCJXRPOLCZZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO3S/c1-3-6(9(13)14)16-8(12-3)5-2-4(10)7(11)15-5/h2H,1H3,(H,13,14).
What are the key properties of 2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 367.02 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62084807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).