2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid

C16H9FN4O2S — CID 58752258

IUPAC2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2c(-c3ccc(F)cc3)nc3ncccn23)n1
InChIInChI=1S/C16H9FN4O2S/c17-10-4-2-9(3-5-10)12-13(14-19-11(8-24-14)15(22)23)21-7-1-6-18-16(21)20-12/h1-8H,(H,22,23)
InChIKeyHNYWUIPCOBDVKF-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.36
Rot. Bonds3

About 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid

2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 58752258) has the molecular formula C16H9FN4O2S and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID58752258
Molecular FormulaC16H9FN4O2S
Molecular Weight340.34 g/mol
Exact Mass340.04
IUPAC Name2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2c(-c3ccc(F)cc3)nc3ncccn23)n1
InChIInChI=1S/C16H9FN4O2S/c17-10-4-2-9(3-5-10)12-13(14-19-11(8-24-14)15(22)23)21-7-1-6-18-16(21)20-12/h1-8H,(H,22,23)
InChIKeyHNYWUIPCOBDVKF-UHFFFAOYSA-N
XLogP3.36
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid (CID 58752258) is 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2c(-c3ccc(F)cc3)nc3ncccn23)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HNYWUIPCOBDVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4O2S/c17-10-4-2-9(3-5-10)12-13(14-19-11(8-24-14)15(22)23)21-7-1-6-18-16(21)20-12/h1-8H,(H,22,23).
What are the key properties of 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid?
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 340.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 58752258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).