2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid

C10H9N3O2S — CID 52903586

IUPAC2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc(Nc2nc(C(=O)O)cs2)n1
InChIInChI=1S/C10H9N3O2S/c1-6-3-2-4-8(11-6)13-10-12-7(5-16-10)9(14)15/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChIKeyJKIGWKNHNXUPOG-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.29
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid

2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 52903586) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID52903586
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc(Nc2nc(C(=O)O)cs2)n1
InChIInChI=1S/C10H9N3O2S/c1-6-3-2-4-8(11-6)13-10-12-7(5-16-10)9(14)15/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChIKeyJKIGWKNHNXUPOG-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 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid (CID 52903586) is 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid is Cc1cccc(Nc2nc(C(=O)O)cs2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JKIGWKNHNXUPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-6-3-2-4-8(11-6)13-10-12-7(5-16-10)9(14)15/h2-5H,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid?
2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-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 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 52903586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).