3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

C19H21N3O3S — CID 3929856

IUPAC3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESCOc1ccc(OC)c(C2(O)CS/C(=N\c3cccnc3)N2C2CC2)c1
InChIInChI=1S/C19H21N3O3S/c1-24-15-7-8-17(25-2)16(10-15)19(23)12-26-18(22(19)14-5-6-14)21-13-4-3-9-20-11-13/h3-4,7-11,14,23H,5-6,12H2,1-2H3/b21-18-
InChIKeyVJHLTTIWONFKNJ-UZYVYHOESA-N
MW371.46 g/mol
LogP3.14
Rot. Bonds5

About 3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (PubChem CID 3929856) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
PubChem CID3929856
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESCOc1ccc(OC)c(C2(O)CS/C(=N\c3cccnc3)N2C2CC2)c1
InChIInChI=1S/C19H21N3O3S/c1-24-15-7-8-17(25-2)16(10-15)19(23)12-26-18(22(19)14-5-6-14)21-13-4-3-9-20-11-13/h3-4,7-11,14,23H,5-6,12H2,1-2H3/b21-18-
InChIKeyVJHLTTIWONFKNJ-UZYVYHOESA-N
XLogP3.14
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-4-(2,5-dimethoxyphenyl)-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-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The IUPAC name of 3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (CID 3929856) is 3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.
What is the SMILES notation for 3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The canonical SMILES for 3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is COc1ccc(OC)c(C2(O)CS/C(=N\c3cccnc3)N2C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The InChIKey is VJHLTTIWONFKNJ-UZYVYHOESA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-24-15-7-8-17(25-2)16(10-15)19(23)12-26-18(22(19)14-5-6-14)21-13-4-3-9-20-11-13/h3-4,7-11,14,23H,5-6,12H2,1-2H3/b21-18-.
What are the key properties of 3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol has a molecular weight of 371.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(2,5-dimethoxyphenyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is sourced from PubChem (CID 3929856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).