2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride

C11H16ClNO2S — CID 21241028

IUPAC2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride
SMILESCOc1ccc(C2[NH2+]CCS2)cc1OC.[Cl-]
InChIInChI=1S/C11H15NO2S.ClH/c1-13-9-4-3-8(7-10(9)14-2)11-12-5-6-15-11;/h3-4,7,11-12H,5-6H2,1-2H3;1H
InChIKeyHXCXKUFOOOCBTP-UHFFFAOYSA-N
MW261.77 g/mol
LogP-1.98
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride

2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride (PubChem CID 21241028) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride
PubChem CID21241028
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride
SMILESCOc1ccc(C2[NH2+]CCS2)cc1OC.[Cl-]
InChIInChI=1S/C11H15NO2S.ClH/c1-13-9-4-3-8(7-10(9)14-2)11-12-5-6-15-11;/h3-4,7,11-12H,5-6H2,1-2H3;1H
InChIKeyHXCXKUFOOOCBTP-UHFFFAOYSA-N
XLogP-1.98
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride (CID 21241028) is 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride is COc1ccc(C2[NH2+]CCS2)cc1OC.[Cl-].
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride?
The InChIKey is HXCXKUFOOOCBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S.ClH/c1-13-9-4-3-8(7-10(9)14-2)11-12-5-6-15-11;/h3-4,7,11-12H,5-6H2,1-2H3;1H.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride?
2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride has a molecular weight of 261.77 g/mol, XLogP of -1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium chloride is sourced from PubChem (CID 21241028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).