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

C23H27FN4O2S — CID 71472585

IUPACN-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine
SMILESCCOc1ccncc1Nc1nc(-c2ccc(OCCN3CCC(F)CC3)cc2)cs1
InChIInChI=1S/C23H27FN4O2S/c1-2-29-22-7-10-25-15-20(22)26-23-27-21(16-31-23)17-3-5-19(6-4-17)30-14-13-28-11-8-18(24)9-12-28/h3-7,10,15-16,18H,2,8-9,11-14H2,1H3,(H,26,27)
InChIKeyFYXYHKSGABAEOV-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.16
Rot. Bonds9

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

N-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine (PubChem CID 71472585) has the molecular formula C23H27FN4O2S and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine
PubChem CID71472585
Molecular FormulaC23H27FN4O2S
Molecular Weight442.56 g/mol
Exact Mass442.18
IUPAC NameN-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine
SMILESCCOc1ccncc1Nc1nc(-c2ccc(OCCN3CCC(F)CC3)cc2)cs1
InChIInChI=1S/C23H27FN4O2S/c1-2-29-22-7-10-25-15-20(22)26-23-27-21(16-31-23)17-3-5-19(6-4-17)30-14-13-28-11-8-18(24)9-12-28/h3-7,10,15-16,18H,2,8-9,11-14H2,1H3,(H,26,27)
InChIKeyFYXYHKSGABAEOV-UHFFFAOYSA-N
XLogP5.16
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine (CID 71472585) is N-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine is CCOc1ccncc1Nc1nc(-c2ccc(OCCN3CCC(F)CC3)cc2)cs1.
What is the InChIKey of N-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine?
The InChIKey is FYXYHKSGABAEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2S/c1-2-29-22-7-10-25-15-20(22)26-23-27-21(16-31-23)17-3-5-19(6-4-17)30-14-13-28-11-8-18(24)9-12-28/h3-7,10,15-16,18H,2,8-9,11-14H2,1H3,(H,26,27).
What are the key properties of N-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine?
N-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine has a molecular weight of 442.56 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-pyridinyl)-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 71472585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).