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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Related Compounds

5-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 94701090
4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid
CID 59337820
5-(furan-2-yl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 82126671
5-acetyl-4-methyl-1,3-thiazole-2-carboxylic acid
CID 130676708
4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid
CID 162757147
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 142781761
5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79023710
CID 45480495
CID 45480495
5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid
CID 66641771
5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 82372555
2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 131333858
4-(4-methylpyrimidin-5-yl)benzoic acid
CID 105467481

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).