4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

C18H21N3O3S — CID 4204860

IUPAC4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESCCN1/C(=N/c2cccnc2)SCC1(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H21N3O3S/c1-4-21-17(20-14-6-5-9-19-11-14)25-12-18(21,22)13-7-8-15(23-2)16(10-13)24-3/h5-11,22H,4,12H2,1-3H3/b20-17-
InChIKeyMSCCNSRMRBSOFX-JZJYNLBNSA-N
MW359.45 g/mol
LogP3.00
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (PubChem CID 4204860) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
PubChem CID4204860
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESCCN1/C(=N/c2cccnc2)SCC1(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H21N3O3S/c1-4-21-17(20-14-6-5-9-19-11-14)25-12-18(21,22)13-7-8-15(23-2)16(10-13)24-3/h5-11,22H,4,12H2,1-3H3/b20-17-
InChIKeyMSCCNSRMRBSOFX-JZJYNLBNSA-N
XLogP3.00
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (CID 4204860) is 4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is CCN1/C(=N/c2cccnc2)SCC1(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The InChIKey is MSCCNSRMRBSOFX-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-4-21-17(20-14-6-5-9-19-11-14)25-12-18(21,22)13-7-8-15(23-2)16(10-13)24-3/h5-11,22H,4,12H2,1-3H3/b20-17-.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol has a molecular weight of 359.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is sourced from PubChem (CID 4204860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).