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

C9H5Br2NO2S2 — CID 102842168

IUPAC2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cc(Br)c(Br)s2)sc1C(=O)O
InChIInChI=1S/C9H5Br2NO2S2/c1-3-6(9(13)14)16-8(12-3)5-2-4(10)7(11)15-5/h2H,1H3,(H,13,14)
InChIKeyURAQQGONTXUQOD-UHFFFAOYSA-N
MW383.09 g/mol
LogP4.40
Rot. Bonds2

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

2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 102842168) has the molecular formula C9H5Br2NO2S2 and a molecular weight of 383.09 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID102842168
Molecular FormulaC9H5Br2NO2S2
Molecular Weight383.09 g/mol
Exact Mass380.81
IUPAC Name2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cc(Br)c(Br)s2)sc1C(=O)O
InChIInChI=1S/C9H5Br2NO2S2/c1-3-6(9(13)14)16-8(12-3)5-2-4(10)7(11)15-5/h2H,1H3,(H,13,14)
InChIKeyURAQQGONTXUQOD-UHFFFAOYSA-N
XLogP4.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.09
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 102842168) is 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2cc(Br)c(Br)s2)sc1C(=O)O.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is URAQQGONTXUQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO2S2/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-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 383.09 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 102842168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).