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

C42H32F2N8OS2 — CID 89423208

IUPAC4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCC(=O)N(c1cccc(C)n1)c1nc(-c2ccc(-c3ccnc(F)c3)cc2)cs1.Cc1cccc(Nc2nc(-c3ccc(-c4ccnc(F)c4)cc3)cs2)n1
InChIInChI=1S/C22H17FN4OS.C20H15FN4S/c1-14-4-3-5-21(25-14)27(15(2)28)22-26-19(13-29-22)17-8-6-16(7-9-17)18-10-11-24-20(23)12-18;1-13-3-2-4-19(23-13)25-20-24-17(12-26-20)15-7-5-14(6-8-15)16-9-10-22-18(21)11-16/h3-13H,1-2H3;2-12H,1H3,(H,23,24,25)
InChIKeyLFWHWLAQDTWZDC-UHFFFAOYSA-N
MW766.90 g/mol
LogP10.86
Rot. Bonds8

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

4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 89423208) has the molecular formula C42H32F2N8OS2 and a molecular weight of 766.90 g/mol. Its IUPAC name is 4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID89423208
Molecular FormulaC42H32F2N8OS2
Molecular Weight766.90 g/mol
Exact Mass766.21
IUPAC Name4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCC(=O)N(c1cccc(C)n1)c1nc(-c2ccc(-c3ccnc(F)c3)cc2)cs1.Cc1cccc(Nc2nc(-c3ccc(-c4ccnc(F)c4)cc3)cs2)n1
InChIInChI=1S/C22H17FN4OS.C20H15FN4S/c1-14-4-3-5-21(25-14)27(15(2)28)22-26-19(13-29-22)17-8-6-16(7-9-17)18-10-11-24-20(23)12-18;1-13-3-2-4-19(23-13)25-20-24-17(12-26-20)15-7-5-14(6-8-15)16-9-10-22-18(21)11-16/h3-13H,1-2H3;2-12H,1H3,(H,23,24,25)
InChIKeyLFWHWLAQDTWZDC-UHFFFAOYSA-N
XLogP10.86
TPSA109.68 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 510.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide 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-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide (CID 89423208) is 4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide is CC(=O)N(c1cccc(C)n1)c1nc(-c2ccc(-c3ccnc(F)c3)cc2)cs1.Cc1cccc(Nc2nc(-c3ccc(-c4ccnc(F)c4)cc3)cs2)n1.
What is the InChIKey of 4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is LFWHWLAQDTWZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4OS.C20H15FN4S/c1-14-4-3-5-21(25-14)27(15(2)28)22-26-19(13-29-22)17-8-6-16(7-9-17)18-10-11-24-20(23)12-18;1-13-3-2-4-19(23-13)25-20-24-17(12-26-20)15-7-5-14(6-8-15)16-9-10-22-18(21)11-16/h3-13H,1-2H3;2-12H,1H3,(H,23,24,25).
What are the key properties of 4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide?
4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 766.90 g/mol, XLogP of 10.86, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-[4-[4-(2-fluoro-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 89423208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).