3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione

C17H12N2O2S2 — CID 1310302

IUPAC3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione
SMILESOc1c(C=C2C=Nc3ccccc32)sc(=S)n1Cc1ccco1
InChIInChI=1S/C17H12N2O2S2/c20-16-15(8-11-9-18-14-6-2-1-5-13(11)14)23-17(22)19(16)10-12-4-3-7-21-12/h1-9,20H,10H2
InChIKeyXGCJKPTZJOBYGQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.88
Rot. Bonds3

About 3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione

3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione (PubChem CID 1310302) has the molecular formula C17H12N2O2S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione
PubChem CID1310302
Molecular FormulaC17H12N2O2S2
Molecular Weight340.43 g/mol
Exact Mass340.03
IUPAC Name3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione
SMILESOc1c(C=C2C=Nc3ccccc32)sc(=S)n1Cc1ccco1
InChIInChI=1S/C17H12N2O2S2/c20-16-15(8-11-9-18-14-6-2-1-5-13(11)14)23-17(22)19(16)10-12-4-3-7-21-12/h1-9,20H,10H2
InChIKeyXGCJKPTZJOBYGQ-UHFFFAOYSA-N
XLogP4.88
TPSA50.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione 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-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione?
The IUPAC name of 3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione (CID 1310302) is 3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione?
The canonical SMILES for 3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione is Oc1c(C=C2C=Nc3ccccc32)sc(=S)n1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione?
The InChIKey is XGCJKPTZJOBYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S2/c20-16-15(8-11-9-18-14-6-2-1-5-13(11)14)23-17(22)19(16)10-12-4-3-7-21-12/h1-9,20H,10H2.
What are the key properties of 3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione?
3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione has a molecular weight of 340.43 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione is sourced from PubChem (CID 1310302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).