[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C15H19FN2OS — CID 119330951

IUPAC[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCC1CC(c2ccc(F)cc2)CN1C(=O)C1CSCN1
InChIInChI=1S/C15H19FN2OS/c1-10-6-12(11-2-4-13(16)5-3-11)7-18(10)15(19)14-8-20-9-17-14/h2-5,10,12,14,17H,6-9H2,1H3
InChIKeyDJXDKHBPVKSEJY-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.19
Rot. Bonds2

About [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 119330951) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID119330951
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCC1CC(c2ccc(F)cc2)CN1C(=O)C1CSCN1
InChIInChI=1S/C15H19FN2OS/c1-10-6-12(11-2-4-13(16)5-3-11)7-18(10)15(19)14-8-20-9-17-14/h2-5,10,12,14,17H,6-9H2,1H3
InChIKeyDJXDKHBPVKSEJY-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
CID 124595999
[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119331339
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119330969
[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 125118087
[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 124697908
2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 122157842
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120934243
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120934242
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
(2S)-2-amino-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 119796817
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120794325
(2S)-2-amino-1-[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124688053

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 119330951) is [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone is CC1CC(c2ccc(F)cc2)CN1C(=O)C1CSCN1.
What is the InChIKey of [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is DJXDKHBPVKSEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-10-6-12(11-2-4-13(16)5-3-11)7-18(10)15(19)14-8-20-9-17-14/h2-5,10,12,14,17H,6-9H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 294.39 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 119330951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).