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

C10H9N3O2S — CID 71829438

IUPAC4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Nc2cccnc2)sc1C(=O)O
InChIInChI=1S/C10H9N3O2S/c1-6-8(9(14)15)16-10(12-6)13-7-3-2-4-11-5-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyYNCHPIJBMYKRRE-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.29
Rot. Bonds3

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

4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 71829438) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID71829438
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Nc2cccnc2)sc1C(=O)O
InChIInChI=1S/C10H9N3O2S/c1-6-8(9(14)15)16-10(12-6)13-7-3-2-4-11-5-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyYNCHPIJBMYKRRE-UHFFFAOYSA-N
XLogP2.29
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid (CID 71829438) is 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid is Cc1nc(Nc2cccnc2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YNCHPIJBMYKRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-6-8(9(14)15)16-10(12-6)13-7-3-2-4-11-5-7/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 235.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 71829438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).