5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid

C8H4BrN3O2S — CID 106512146

IUPAC5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cscn2)ncc1Br
InChIInChI=1S/C8H4BrN3O2S/c9-4-1-10-7(5-2-15-3-11-5)12-6(4)8(13)14/h1-3H,(H,13,14)
InChIKeyGWYNABZHJZILSM-UHFFFAOYSA-N
MW286.11 g/mol
LogP2.06
Rot. Bonds2

About 5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid

5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid (PubChem CID 106512146) has the molecular formula C8H4BrN3O2S and a molecular weight of 286.11 g/mol. Its IUPAC name is 5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid
PubChem CID106512146
Molecular FormulaC8H4BrN3O2S
Molecular Weight286.11 g/mol
Exact Mass284.92
IUPAC Name5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cscn2)ncc1Br
InChIInChI=1S/C8H4BrN3O2S/c9-4-1-10-7(5-2-15-3-11-5)12-6(4)8(13)14/h1-3H,(H,13,14)
InChIKeyGWYNABZHJZILSM-UHFFFAOYSA-N
XLogP2.06
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82168679
5-bromo-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82168681
5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 106512230
5-bromo-2-(3,4-dihydroxyphenyl)pyrimidine-4-carboxylic acid
CID 136889423
5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 106512241
5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid
CID 127018519
5-bromo-2-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid
CID 106512106
ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate
CID 116646861
5-bromo-2-(3-hydroxy-3H-inden-1-yl)pyrimidine-4-carboxylic acid
CID 67985585
2-(2-aminoethyl)-5-bromopyrimidine-4-carboxylic acid
CID 83825215
5-bromopyrimidine-4-carboxylic acid
CID 21329200
5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidine-4-carboxylic acid
CID 106512151

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid (CID 106512146) is 5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2cscn2)ncc1Br.
What is the InChIKey of 5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid?
The InChIKey is GWYNABZHJZILSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN3O2S/c9-4-1-10-7(5-2-15-3-11-5)12-6(4)8(13)14/h1-3H,(H,13,14).
What are the key properties of 5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid?
5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid has a molecular weight of 286.11 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 106512146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).