2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid

C14H9FN4O2S — CID 165344584

IUPAC2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESNc1nccc(-c2nc(-c3ccccc3F)c(C(=O)O)s2)n1
InChIInChI=1S/C14H9FN4O2S/c15-8-4-2-1-3-7(8)10-11(13(20)21)22-12(19-10)9-5-6-17-14(16)18-9/h1-6H,(H,20,21)(H2,16,17,18)
InChIKeyDFRYSMXPRFFKLB-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.69
Rot. Bonds3

About 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid

2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 165344584) has the molecular formula C14H9FN4O2S and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID165344584
Molecular FormulaC14H9FN4O2S
Molecular Weight316.32 g/mol
Exact Mass316.04
IUPAC Name2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESNc1nccc(-c2nc(-c3ccccc3F)c(C(=O)O)s2)n1
InChIInChI=1S/C14H9FN4O2S/c15-8-4-2-1-3-7(8)10-11(13(20)21)22-12(19-10)9-5-6-17-14(16)18-9/h1-6H,(H,20,21)(H2,16,17,18)
InChIKeyDFRYSMXPRFFKLB-UHFFFAOYSA-N
XLogP2.69
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid (CID 165344584) is 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid is Nc1nccc(-c2nc(-c3ccccc3F)c(C(=O)O)s2)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is DFRYSMXPRFFKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2S/c15-8-4-2-1-3-7(8)10-11(13(20)21)22-12(19-10)9-5-6-17-14(16)18-9/h1-6H,(H,20,21)(H2,16,17,18).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 316.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 165344584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).