2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid

C10H8N2O2S — CID 96608360

IUPAC2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)ccn2)cs1
InChIInChI=1S/C10H8N2O2S/c1-6-12-9(5-15-6)8-4-7(10(13)14)2-3-11-8/h2-5H,1H3,(H,13,14)
InChIKeyDGNSCFJXXIDGDP-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

About 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid

2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 96608360) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
PubChem CID96608360
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)ccn2)cs1
InChIInChI=1S/C10H8N2O2S/c1-6-12-9(5-15-6)8-4-7(10(13)14)2-3-11-8/h2-5H,1H3,(H,13,14)
InChIKeyDGNSCFJXXIDGDP-UHFFFAOYSA-N
XLogP2.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid (CID 96608360) is 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid is Cc1nc(-c2cc(C(=O)O)ccn2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is DGNSCFJXXIDGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-12-9(5-15-6)8-4-7(10(13)14)2-3-11-8/h2-5H,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 220.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 96608360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).