4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C21H17FN4S — CID 89423177

IUPAC4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4cc(F)ncc4C)cc3)cs2)n1
InChIInChI=1S/C21H17FN4S/c1-13-11-23-19(22)10-17(13)15-6-8-16(9-7-15)18-12-27-21(25-18)26-20-5-3-4-14(2)24-20/h3-12H,1-2H3,(H,24,25,26)
InChIKeyYHBFEUXXTKFOPU-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.77
Rot. Bonds4

About 4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 89423177) has the molecular formula C21H17FN4S and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID89423177
Molecular FormulaC21H17FN4S
Molecular Weight376.46 g/mol
Exact Mass376.12
IUPAC Name4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4cc(F)ncc4C)cc3)cs2)n1
InChIInChI=1S/C21H17FN4S/c1-13-11-23-19(22)10-17(13)15-6-8-16(9-7-15)18-12-27-21(25-18)26-20-5-3-4-14(2)24-20/h3-12H,1-2H3,(H,24,25,26)
InChIKeyYHBFEUXXTKFOPU-UHFFFAOYSA-N
XLogP5.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 89423177) is 4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(-c4cc(F)ncc4C)cc3)cs2)n1.
What is the InChIKey of 4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is YHBFEUXXTKFOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4S/c1-13-11-23-19(22)10-17(13)15-6-8-16(9-7-15)18-12-27-21(25-18)26-20-5-3-4-14(2)24-20/h3-12H,1-2H3,(H,24,25,26).
What are the key properties of 4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 376.46 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89423177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).