4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine

C20H15FN4S — CID 56662654

IUPAC4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(-c4cccc(F)n4)c3)cs2)c1
InChIInChI=1S/C20H15FN4S/c1-13-4-2-5-15(10-13)23-20-25-18(12-26-20)14-8-9-22-17(11-14)16-6-3-7-19(21)24-16/h2-12H,1H3,(H,23,25)
InChIKeyLZIBLOKPYPIKME-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.46
Rot. Bonds4

About 4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine

4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 56662654) has the molecular formula C20H15FN4S and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID56662654
Molecular FormulaC20H15FN4S
Molecular Weight362.43 g/mol
Exact Mass362.10
IUPAC Name4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(-c4cccc(F)n4)c3)cs2)c1
InChIInChI=1S/C20H15FN4S/c1-13-4-2-5-15(10-13)23-20-25-18(12-26-20)14-8-9-22-17(11-14)16-6-3-7-19(21)24-16/h2-12H,1H3,(H,23,25)
InChIKeyLZIBLOKPYPIKME-UHFFFAOYSA-N
XLogP5.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine 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 4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine (CID 56662654) is 4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccnc(-c4cccc(F)n4)c3)cs2)c1.
What is the InChIKey of 4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is LZIBLOKPYPIKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4S/c1-13-4-2-5-15(10-13)23-20-25-18(12-26-20)14-8-9-22-17(11-14)16-6-3-7-19(21)24-16/h2-12H,1H3,(H,23,25).
What are the key properties of 4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine?
4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 362.43 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoro-2-pyridinyl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 56662654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).