(2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium

C10H13FNOS+ — CID 7100658

IUPAC(2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium
SMILESFc1cccc(OC[C@H]2[NH2+]CCS2)c1
InChIInChI=1S/C10H12FNOS/c11-8-2-1-3-9(6-8)13-7-10-12-4-5-14-10/h1-3,6,10,12H,4-5,7H2/p+1/t10-/m0/s1
InChIKeyZQBBRHDXJIZLDR-JTQLQIEISA-O
MW214.28 g/mol
LogP0.84
Rot. Bonds3

About (2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium

(2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium (PubChem CID 7100658) has the molecular formula C10H13FNOS+ and a molecular weight of 214.28 g/mol. Its IUPAC name is (2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium.

Molecular Properties

Compound Name(2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium
PubChem CID7100658
Molecular FormulaC10H13FNOS+
Molecular Weight214.28 g/mol
Exact Mass214.07
IUPAC Name(2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium
SMILESFc1cccc(OC[C@H]2[NH2+]CCS2)c1
InChIInChI=1S/C10H12FNOS/c11-8-2-1-3-9(6-8)13-7-10-12-4-5-14-10/h1-3,6,10,12H,4-5,7H2/p+1/t10-/m0/s1
InChIKeyZQBBRHDXJIZLDR-JTQLQIEISA-O
XLogP0.84
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium?
The IUPAC name of (2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium (CID 7100658) is (2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium.
What is the SMILES notation for (2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium?
The canonical SMILES for (2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium is Fc1cccc(OC[C@H]2[NH2+]CCS2)c1.
What is the InChIKey of (2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium?
The InChIKey is ZQBBRHDXJIZLDR-JTQLQIEISA-O. The full InChI is InChI=1S/C10H12FNOS/c11-8-2-1-3-9(6-8)13-7-10-12-4-5-14-10/h1-3,6,10,12H,4-5,7H2/p+1/t10-/m0/s1.
What are the key properties of (2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium?
(2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium has a molecular weight of 214.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium is sourced from PubChem (CID 7100658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).