2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid

C11H10N2O2S — CID 131333858

IUPAC2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESCc1cncc(-c2sc(C)nc2C(=O)O)c1
InChIInChI=1S/C11H10N2O2S/c1-6-3-8(5-12-4-6)10-9(11(14)15)13-7(2)16-10/h3-5H,1-2H3,(H,14,15)
InChIKeyQBRYWXOLXMDCPF-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.52
Rot. Bonds2

About 2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid

2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 131333858) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
PubChem CID131333858
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESCc1cncc(-c2sc(C)nc2C(=O)O)c1
InChIInChI=1S/C11H10N2O2S/c1-6-3-8(5-12-4-6)10-9(11(14)15)13-7(2)16-10/h3-5H,1-2H3,(H,14,15)
InChIKeyQBRYWXOLXMDCPF-UHFFFAOYSA-N
XLogP2.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid (CID 131333858) is 2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid is Cc1cncc(-c2sc(C)nc2C(=O)O)c1.
What is the InChIKey of 2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is QBRYWXOLXMDCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-6-3-8(5-12-4-6)10-9(11(14)15)13-7(2)16-10/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 131333858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).