5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine

C19H23FN2OS — CID 141312441

IUPAC5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine
SMILESCCc1ccc([C@H](F)COc2ccc(CC3CNCS3)cc2)nc1
InChIInChI=1S/C19H23FN2OS/c1-2-14-5-8-19(22-10-14)18(20)12-23-16-6-3-15(4-7-16)9-17-11-21-13-24-17/h3-8,10,17-18,21H,2,9,11-13H2,1H3/t17?,18-/m1/s1
InChIKeyJITCJUCRLJRAAL-QRWMCTBCSA-N
MW346.47 g/mol
LogP3.94
Rot. Bonds7

About 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine

5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine (PubChem CID 141312441) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine.

Molecular Properties

Compound Name5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine
PubChem CID141312441
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC Name5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine
SMILESCCc1ccc([C@H](F)COc2ccc(CC3CNCS3)cc2)nc1
InChIInChI=1S/C19H23FN2OS/c1-2-14-5-8-19(22-10-14)18(20)12-23-16-6-3-15(4-7-16)9-17-11-21-13-24-17/h3-8,10,17-18,21H,2,9,11-13H2,1H3/t17?,18-/m1/s1
InChIKeyJITCJUCRLJRAAL-QRWMCTBCSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde
CID 139672060
5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 23651403
4-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
CID 18687654
(Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid
CID 71182854
1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine
CID 139712897
sodium 5-[[4-[2-(5-ethyl-2-pyridinyl)-3-hydroxypropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 23325415
4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine
CID 66823574
methyl (3S)-4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate
CID 126611466
5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-(1-hydroxyethoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 130308111
5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73050415
(5Z)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 163516452
N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine
CID 141038307

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine?
The IUPAC name of 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine (CID 141312441) is 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine.
What is the SMILES notation for 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine?
The canonical SMILES for 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine is CCc1ccc([C@H](F)COc2ccc(CC3CNCS3)cc2)nc1.
What is the InChIKey of 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine?
The InChIKey is JITCJUCRLJRAAL-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-2-14-5-8-19(22-10-14)18(20)12-23-16-6-3-15(4-7-16)9-17-11-21-13-24-17/h3-8,10,17-18,21H,2,9,11-13H2,1H3/t17?,18-/m1/s1.
What are the key properties of 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine?
5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine has a molecular weight of 346.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine is sourced from PubChem (CID 141312441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).