4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine

C22H25FN4O2S — CID 71472584

IUPAC4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccncc1Nc1nc(-c2ccc(OCCN3CCC(F)CC3)cc2)cs1
InChIInChI=1S/C22H25FN4O2S/c1-28-21-6-9-24-14-19(21)25-22-26-20(15-30-22)16-2-4-18(5-3-16)29-13-12-27-10-7-17(23)8-11-27/h2-6,9,14-15,17H,7-8,10-13H2,1H3,(H,25,26)
InChIKeyIQNZMKHDOKDWTM-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.77
Rot. Bonds8

About 4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine

4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 71472584) has the molecular formula C22H25FN4O2S and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine
PubChem CID71472584
Molecular FormulaC22H25FN4O2S
Molecular Weight428.53 g/mol
Exact Mass428.17
IUPAC Name4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccncc1Nc1nc(-c2ccc(OCCN3CCC(F)CC3)cc2)cs1
InChIInChI=1S/C22H25FN4O2S/c1-28-21-6-9-24-14-19(21)25-22-26-20(15-30-22)16-2-4-18(5-3-16)29-13-12-27-10-7-17(23)8-11-27/h2-6,9,14-15,17H,7-8,10-13H2,1H3,(H,25,26)
InChIKeyIQNZMKHDOKDWTM-UHFFFAOYSA-N
XLogP4.77
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-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-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine (CID 71472584) is 4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine is COc1ccncc1Nc1nc(-c2ccc(OCCN3CCC(F)CC3)cc2)cs1.
What is the InChIKey of 4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is IQNZMKHDOKDWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2S/c1-28-21-6-9-24-14-19(21)25-22-26-20(15-30-22)16-2-4-18(5-3-16)29-13-12-27-10-7-17(23)8-11-27/h2-6,9,14-15,17H,7-8,10-13H2,1H3,(H,25,26).
What are the key properties of 4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine?
4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 428.53 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71472584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).