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

C9H7N3O2S — CID 165447400

IUPAC4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)sc1-c1cncnc1
InChIInChI=1S/C9H7N3O2S/c1-5-7(6-2-10-4-11-3-6)15-8(12-5)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyUNKSAJDKYHOIMO-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.61
Rot. Bonds2

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

4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid (PubChem CID 165447400) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid
PubChem CID165447400
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)sc1-c1cncnc1
InChIInChI=1S/C9H7N3O2S/c1-5-7(6-2-10-4-11-3-6)15-8(12-5)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyUNKSAJDKYHOIMO-UHFFFAOYSA-N
XLogP1.61
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid (CID 165447400) is 4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid is Cc1nc(C(=O)O)sc1-c1cncnc1.
What is the InChIKey of 4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid?
The InChIKey is UNKSAJDKYHOIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c1-5-7(6-2-10-4-11-3-6)15-8(12-5)9(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid?
4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid has a molecular weight of 221.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pyrimidin-5-yl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 165447400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).