5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid

C14H9N3O2S — CID 64715388

IUPAC5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ncccn2)sc1-c1ccccc1
InChIInChI=1S/C14H9N3O2S/c18-14(19)10-11(9-5-2-1-3-6-9)20-13(17-10)12-15-7-4-8-16-12/h1-8H,(H,18,19)
InChIKeyGXZXGMSQHZERSG-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.97
Rot. Bonds3

About 5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid

5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 64715388) has the molecular formula C14H9N3O2S and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID64715388
Molecular FormulaC14H9N3O2S
Molecular Weight283.31 g/mol
Exact Mass283.04
IUPAC Name5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ncccn2)sc1-c1ccccc1
InChIInChI=1S/C14H9N3O2S/c18-14(19)10-11(9-5-2-1-3-6-9)20-13(17-10)12-15-7-4-8-16-12/h1-8H,(H,18,19)
InChIKeyGXZXGMSQHZERSG-UHFFFAOYSA-N
XLogP2.97
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid (CID 64715388) is 5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(-c2ncccn2)sc1-c1ccccc1.
What is the InChIKey of 5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is GXZXGMSQHZERSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S/c18-14(19)10-11(9-5-2-1-3-6-9)20-13(17-10)12-15-7-4-8-16-12/h1-8H,(H,18,19).
What are the key properties of 5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid?
5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 283.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64715388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).