2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid

C10H7F2N3O2S — CID 142599910

IUPAC2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(Nc2cc(F)nc(F)c2)nc1C(=O)O
InChIInChI=1S/C10H7F2N3O2S/c1-4-8(9(16)17)15-10(18-4)13-5-2-6(11)14-7(12)3-5/h2-3H,1H3,(H,16,17)(H,13,14,15)
InChIKeyRLYWUJKHZRGQSR-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.57
Rot. Bonds3

About 2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid

2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 142599910) has the molecular formula C10H7F2N3O2S and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID142599910
Molecular FormulaC10H7F2N3O2S
Molecular Weight271.25 g/mol
Exact Mass271.02
IUPAC Name2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(Nc2cc(F)nc(F)c2)nc1C(=O)O
InChIInChI=1S/C10H7F2N3O2S/c1-4-8(9(16)17)15-10(18-4)13-5-2-6(11)14-7(12)3-5/h2-3H,1H3,(H,16,17)(H,13,14,15)
InChIKeyRLYWUJKHZRGQSR-UHFFFAOYSA-N
XLogP2.57
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 142599910) is 2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(Nc2cc(F)nc(F)c2)nc1C(=O)O.
What is the InChIKey of 2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is RLYWUJKHZRGQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2S/c1-4-8(9(16)17)15-10(18-4)13-5-2-6(11)14-7(12)3-5/h2-3H,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-4-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 142599910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).