3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione

C15H12N2O3S2 — CID 137249229

IUPAC3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione
SMILESOc1ccccc1/N=C/c1sc(=S)n(Cc2ccco2)c1O
InChIInChI=1S/C15H12N2O3S2/c18-12-6-2-1-5-11(12)16-8-13-14(19)17(15(21)22-13)9-10-4-3-7-20-10/h1-8,18-19H,9H2/b16-8+
InChIKeyLZXYQCLSKXINPS-LZYBPNLTSA-N
MW332.41 g/mol
LogP4.08
Rot. Bonds4

About 3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione

3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione (PubChem CID 137249229) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione
PubChem CID137249229
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC Name3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione
SMILESOc1ccccc1/N=C/c1sc(=S)n(Cc2ccco2)c1O
InChIInChI=1S/C15H12N2O3S2/c18-12-6-2-1-5-11(12)16-8-13-14(19)17(15(21)22-13)9-10-4-3-7-20-10/h1-8,18-19H,9H2/b16-8+
InChIKeyLZXYQCLSKXINPS-LZYBPNLTSA-N
XLogP4.08
TPSA70.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[(4-Fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione
CID 137249191
5-[(2-Fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione
CID 137249238
3-(Furan-2-ylmethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazole-2-thione
CID 1310302
3-(2-furylmethyl)-5-(1H-indol-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 135448788
2-[[3-(Furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-5-(4-methoxyphenyl)imino-1,3-oxazole-4-carbonitrile
CID 135463282
2-{(E)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile
CID 135527485
(5E)-3-(furan-2-ylmethyl)-5-{[(2-methoxyphenyl)amino]methylidene}-2-thioxo-1,3-thiazolidin-4-one
CID 135634010
(5E)-3-(furan-2-ylmethyl)-5-{[(3-hydroxyphenyl)amino]methylidene}-2-thioxo-1,3-thiazolidin-4-one
CID 135649497
N-[3-({(E)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}amino)phenyl]acetamide
CID 135649498
(2E)-5-(4-ethoxyphenyl)imino-2-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-1,3-oxazole-4-carbonitrile
CID 135829204
3-(2-Furylmethyl)-5-(indol-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 136004717
3-(Furan-2-ylmethyl)-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione
CID 137249174

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione?
The IUPAC name of 3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione (CID 137249229) is 3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione?
The canonical SMILES for 3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione is Oc1ccccc1/N=C/c1sc(=S)n(Cc2ccco2)c1O.
What is the InChIKey of 3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione?
The InChIKey is LZXYQCLSKXINPS-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c18-12-6-2-1-5-11(12)16-8-13-14(19)17(15(21)22-13)9-10-4-3-7-20-10/h1-8,18-19H,9H2/b16-8+.
What are the key properties of 3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione?
3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione has a molecular weight of 332.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 137249229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).