1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone

C13H17NO4S — CID 3039669

IUPAC1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCSC2)cc(OC)c1OC
InChIInChI=1S/C13H17NO4S/c1-16-10-6-9(7-11(17-2)12(10)18-3)13(15)14-4-5-19-8-14/h6-7H,4-5,8H2,1-3H3
InChIKeyQVCOQCFDDPUEJZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.86
Rot. Bonds4

About 1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone

1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 3039669) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone
PubChem CID3039669
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCSC2)cc(OC)c1OC
InChIInChI=1S/C13H17NO4S/c1-16-10-6-9(7-11(17-2)12(10)18-3)13(15)14-4-5-19-8-14/h6-7H,4-5,8H2,1-3H3
InChIKeyQVCOQCFDDPUEJZ-UHFFFAOYSA-N
XLogP1.86
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of 1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone (CID 3039669) is 1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for 1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for 1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCSC2)cc(OC)c1OC.
What is the InChIKey of 1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is QVCOQCFDDPUEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-16-10-6-9(7-11(17-2)12(10)18-3)13(15)14-4-5-19-8-14/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone?
1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 283.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 3039669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).