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

C10H8N2O2S — CID 1483713

IUPAC4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccncc2)sc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,13,14)
InChIKeyWAIPVXWDQQHMQG-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

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

4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 1483713) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID1483713
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccncc2)sc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,13,14)
InChIKeyWAIPVXWDQQHMQG-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 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid (CID 1483713) is 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccncc2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is WAIPVXWDQQHMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,13,14).
What are the key properties of 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
4-methyl-2-pyridin-4-yl-1,3-thiazole-5-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 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 1483713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).