(2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine

C12H16FNOS — CID 42544290

IUPAC(2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
SMILESFCCCOc1ccc([C@H]2NCCS2)cc1
InChIInChI=1S/C12H16FNOS/c13-6-1-8-15-11-4-2-10(3-5-11)12-14-7-9-16-12/h2-5,12,14H,1,6-9H2/t12-/m0/s1
InChIKeyYJMNOVGUJOGKGS-LBPRGKRZSA-N
MW241.33 g/mol
LogP2.76
Rot. Bonds5

About (2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine

(2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine (PubChem CID 42544290) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
PubChem CID42544290
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name(2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
SMILESFCCCOc1ccc([C@H]2NCCS2)cc1
InChIInChI=1S/C12H16FNOS/c13-6-1-8-15-11-4-2-10(3-5-11)12-14-7-9-16-12/h2-5,12,14H,1,6-9H2/t12-/m0/s1
InChIKeyYJMNOVGUJOGKGS-LBPRGKRZSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
CID 18526272
(2R)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
CID 42544288
(2R)-2-(4-fluorophenyl)-1,3-thiazolidine
CID 42544128
3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole
CID 54231038
2-(4-methylphenyl)-1,3-thiazolidine
CID 2771069
4-(1,3-thiazolidin-2-yl)benzonitrile;hydrochloride
CID 170986640
(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine
CID 28775424
2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane
CID 66217767
[4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid
CID 99738202
2-(6-methoxy-3-pyridinyl)-1,3-thiazolidine
CID 114938310
2-[4-(3-fluoropropoxy)phenyl]-5-methyl-1,3-dioxane
CID 144978945
(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 93068855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine?
The IUPAC name of (2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine (CID 42544290) is (2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine?
The canonical SMILES for (2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine is FCCCOc1ccc([C@H]2NCCS2)cc1.
What is the InChIKey of (2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine?
The InChIKey is YJMNOVGUJOGKGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16FNOS/c13-6-1-8-15-11-4-2-10(3-5-11)12-14-7-9-16-12/h2-5,12,14H,1,6-9H2/t12-/m0/s1.
What are the key properties of (2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine?
(2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine has a molecular weight of 241.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine is sourced from PubChem (CID 42544290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).