5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid

C14H11N3O2S — CID 167984251

IUPAC5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(/C=C/c2cnn3ccccc23)nc1C(=O)O
InChIInChI=1S/C14H11N3O2S/c1-9-13(14(18)19)16-12(20-9)6-5-10-8-15-17-7-3-2-4-11(10)17/h2-8H,1H3,(H,18,19)/b6-5+
InChIKeyLQEAWBNOQXZJSG-AATRIKPKSA-N
MW285.33 g/mol
LogP2.97
Rot. Bonds3

About 5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid

5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 167984251) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID167984251
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(/C=C/c2cnn3ccccc23)nc1C(=O)O
InChIInChI=1S/C14H11N3O2S/c1-9-13(14(18)19)16-12(20-9)6-5-10-8-15-17-7-3-2-4-11(10)17/h2-8H,1H3,(H,18,19)/b6-5+
InChIKeyLQEAWBNOQXZJSG-AATRIKPKSA-N
XLogP2.97
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid (CID 167984251) is 5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid is Cc1sc(/C=C/c2cnn3ccccc23)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LQEAWBNOQXZJSG-AATRIKPKSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-13(14(18)19)16-12(20-9)6-5-10-8-15-17-7-3-2-4-11(10)17/h2-8H,1H3,(H,18,19)/b6-5+.
What are the key properties of 5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid?
5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 285.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 167984251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).