3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

C18H21N3O2S — CID 3645256

IUPAC3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESCOCCCN1/C(=N/c2cccnc2)SCC1(O)c1ccccc1
InChIInChI=1S/C18H21N3O2S/c1-23-12-6-11-21-17(20-16-9-5-10-19-13-16)24-14-18(21,22)15-7-3-2-4-8-15/h2-5,7-10,13,22H,6,11-12,14H2,1H3/b20-17-
InChIKeyDWJWYBKZUFCWCC-JZJYNLBNSA-N
MW343.45 g/mol
LogP3.00
Rot. Bonds6

About 3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (PubChem CID 3645256) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
PubChem CID3645256
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESCOCCCN1/C(=N/c2cccnc2)SCC1(O)c1ccccc1
InChIInChI=1S/C18H21N3O2S/c1-23-12-6-11-21-17(20-16-9-5-10-19-13-16)24-14-18(21,22)15-7-3-2-4-8-15/h2-5,7-10,13,22H,6,11-12,14H2,1H3/b20-17-
InChIKeyDWJWYBKZUFCWCC-JZJYNLBNSA-N
XLogP3.00
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The IUPAC name of 3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (CID 3645256) is 3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.
What is the SMILES notation for 3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The canonical SMILES for 3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is COCCCN1/C(=N/c2cccnc2)SCC1(O)c1ccccc1.
What is the InChIKey of 3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The InChIKey is DWJWYBKZUFCWCC-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-23-12-6-11-21-17(20-16-9-5-10-19-13-16)24-14-18(21,22)15-7-3-2-4-8-15/h2-5,7-10,13,22H,6,11-12,14H2,1H3/b20-17-.
What are the key properties of 3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol has a molecular weight of 343.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-4-phenyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is sourced from PubChem (CID 3645256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).