5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine

C20H15FN4OS — CID 24960472

IUPAC5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(-c2nnc(Nc3ccccc3)s2)c1-c1ccnc(F)c1
InChIInChI=1S/C20H15FN4OS/c1-26-16-9-5-8-15(18(16)13-10-11-22-17(21)12-13)19-24-25-20(27-19)23-14-6-3-2-4-7-14/h2-12H,1H3,(H,23,25)
InChIKeyBHWVRMFDCLTKTO-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.16
Rot. Bonds5

About 5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine

5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 24960472) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID24960472
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(-c2nnc(Nc3ccccc3)s2)c1-c1ccnc(F)c1
InChIInChI=1S/C20H15FN4OS/c1-26-16-9-5-8-15(18(16)13-10-11-22-17(21)12-13)19-24-25-20(27-19)23-14-6-3-2-4-7-14/h2-12H,1H3,(H,23,25)
InChIKeyBHWVRMFDCLTKTO-UHFFFAOYSA-N
XLogP5.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-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 5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine (CID 24960472) is 5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine is COc1cccc(-c2nnc(Nc3ccccc3)s2)c1-c1ccnc(F)c1.
What is the InChIKey of 5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BHWVRMFDCLTKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c1-26-16-9-5-8-15(18(16)13-10-11-22-17(21)12-13)19-24-25-20(27-19)23-14-6-3-2-4-7-14/h2-12H,1H3,(H,23,25).
What are the key properties of 5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 378.43 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24960472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).