2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid

C15H9ClFN3O2S — CID 69069261

IUPAC2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cnccc2Nc2cc(F)ccc2Cl)s1
InChIInChI=1S/C15H9ClFN3O2S/c16-10-2-1-8(17)5-12(10)20-11-3-4-18-6-9(11)14-19-7-13(23-14)15(21)22/h1-7H,(H,18,20)(H,21,22)
InChIKeyLNUOMZPLNIIBDC-UHFFFAOYSA-N
MW349.77 g/mol
LogP4.44
Rot. Bonds4

About 2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid

2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 69069261) has the molecular formula C15H9ClFN3O2S and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid
PubChem CID69069261
Molecular FormulaC15H9ClFN3O2S
Molecular Weight349.77 g/mol
Exact Mass349.01
IUPAC Name2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cnccc2Nc2cc(F)ccc2Cl)s1
InChIInChI=1S/C15H9ClFN3O2S/c16-10-2-1-8(17)5-12(10)20-11-3-4-18-6-9(11)14-19-7-13(23-14)15(21)22/h1-7H,(H,18,20)(H,21,22)
InChIKeyLNUOMZPLNIIBDC-UHFFFAOYSA-N
XLogP4.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-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

Related Compounds

2-(2-chloro-5-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 107531721
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
4-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528832
2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid
CID 107528839
3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528825
2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114905337
2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 107931351
2-(2,6-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 43156441
4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83079420
2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine
CID 107526804
4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine
CID 107526809
2-(3,4-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80572321

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid (CID 69069261) is 2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(-c2cnccc2Nc2cc(F)ccc2Cl)s1.
What is the InChIKey of 2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is LNUOMZPLNIIBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O2S/c16-10-2-1-8(17)5-12(10)20-11-3-4-18-6-9(11)14-19-7-13(23-14)15(21)22/h1-7H,(H,18,20)(H,21,22).
What are the key properties of 2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid?
2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 349.77 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-5-fluoroanilino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 69069261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).