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

C8H4Br2N2O2S2 — CID 107970764

IUPAC5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2cc(Br)sc2Br)nc1C(=O)O
InChIInChI=1S/C8H4Br2N2O2S2/c9-3-1-2(5(10)15-3)7-12-4(8(13)14)6(11)16-7/h1H,11H2,(H,13,14)
InChIKeyDUDWLXSFRKJRHO-UHFFFAOYSA-N
MW384.07 g/mol
LogP3.68
Rot. Bonds2

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

5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 107970764) has the molecular formula C8H4Br2N2O2S2 and a molecular weight of 384.07 g/mol. Its IUPAC name is 5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID107970764
Molecular FormulaC8H4Br2N2O2S2
Molecular Weight384.07 g/mol
Exact Mass381.81
IUPAC Name5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2cc(Br)sc2Br)nc1C(=O)O
InChIInChI=1S/C8H4Br2N2O2S2/c9-3-1-2(5(10)15-3)7-12-4(8(13)14)6(11)16-7/h1H,11H2,(H,13,14)
InChIKeyDUDWLXSFRKJRHO-UHFFFAOYSA-N
XLogP3.68
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid
CID 107981281
5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199947
5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199996
5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 107948683
5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid
CID 106694863
5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 83707486
5-amino-1,3-thiazole-2,4-dicarboxylic acid
CID 84770637
5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103199862
5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 122508757
5-amino-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 103199844
5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103408838
methyl 5-amino-2-(2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199725

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid (CID 107970764) is 5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid is Nc1sc(-c2cc(Br)sc2Br)nc1C(=O)O.
What is the InChIKey of 5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is DUDWLXSFRKJRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2O2S2/c9-3-1-2(5(10)15-3)7-12-4(8(13)14)6(11)16-7/h1H,11H2,(H,13,14).
What are the key properties of 5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 384.07 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107970764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).