2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium

C10H14NOS+ — CID 5043679

IUPAC2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium
SMILESCOc1ccccc1C1[NH2+]CCS1
InChIInChI=1S/C10H13NOS/c1-12-9-5-3-2-4-8(9)10-11-6-7-13-10/h2-5,10-11H,6-7H2,1H3/p+1
InChIKeyHJPJOKSJGDFDBQ-UHFFFAOYSA-O
MW196.30 g/mol
LogP1.00
Rot. Bonds2

About 2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium

2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium (PubChem CID 5043679) has the molecular formula C10H14NOS+ and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium
PubChem CID5043679
Molecular FormulaC10H14NOS+
Molecular Weight196.30 g/mol
Exact Mass196.08
IUPAC Name2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium
SMILESCOc1ccccc1C1[NH2+]CCS1
InChIInChI=1S/C10H13NOS/c1-12-9-5-3-2-4-8(9)10-11-6-7-13-10/h2-5,10-11H,6-7H2,1H3/p+1
InChIKeyHJPJOKSJGDFDBQ-UHFFFAOYSA-O
XLogP1.00
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-ium
CID 6945458
2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium
CID 4172110
2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride
CID 21241028
(2S)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-ium
CID 6940215
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
2-(2-methoxyphenyl)-1,3-thiazinane
CID 66219247
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
2,5-bis(2-methoxyphenyl)-1-methylphospholane
CID 90111468

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium?
The IUPAC name of 2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium (CID 5043679) is 2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium?
The canonical SMILES for 2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium is COc1ccccc1C1[NH2+]CCS1.
What is the InChIKey of 2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium?
The InChIKey is HJPJOKSJGDFDBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13NOS/c1-12-9-5-3-2-4-8(9)10-11-6-7-13-10/h2-5,10-11H,6-7H2,1H3/p+1.
What are the key properties of 2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium?
2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium has a molecular weight of 196.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1,3-thiazolidin-3-ium is sourced from PubChem (CID 5043679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).