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

C8H5N3O2S — CID 37134683

IUPAC2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C8H5N3O2S/c12-8(13)5-4-14-7(11-5)6-9-2-1-3-10-6/h1-4H,(H,12,13)
InChIKeyJLEFSHGKRSIMSK-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.30
Rot. Bonds2

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

2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 37134683) has the molecular formula C8H5N3O2S and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID37134683
Molecular FormulaC8H5N3O2S
Molecular Weight207.21 g/mol
Exact Mass207.01
IUPAC Name2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C8H5N3O2S/c12-8(13)5-4-14-7(11-5)6-9-2-1-3-10-6/h1-4H,(H,12,13)
InChIKeyJLEFSHGKRSIMSK-UHFFFAOYSA-N
XLogP1.30
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid (CID 37134683) is 2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ncccn2)n1.
What is the InChIKey of 2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is JLEFSHGKRSIMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2S/c12-8(13)5-4-14-7(11-5)6-9-2-1-3-10-6/h1-4H,(H,12,13).
What are the key properties of 2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid?
2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 207.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 37134683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).