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

C16H14N2O2S2 — CID 137249186

IUPAC3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione
SMILESCc1cccc(/N=C/c2sc(=S)n(Cc3ccco3)c2O)c1
InChIInChI=1S/C16H14N2O2S2/c1-11-4-2-5-12(8-11)17-9-14-15(19)18(16(21)22-14)10-13-6-3-7-20-13/h2-9,19H,10H2,1H3/b17-9+
InChIKeyYLXBSFZMXHRPFX-RQZCQDPDSA-N
MW330.43 g/mol
LogP4.69
Rot. Bonds4

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

3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione (PubChem CID 137249186) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione
PubChem CID137249186
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione
SMILESCc1cccc(/N=C/c2sc(=S)n(Cc3ccco3)c2O)c1
InChIInChI=1S/C16H14N2O2S2/c1-11-4-2-5-12(8-11)17-9-14-15(19)18(16(21)22-14)10-13-6-3-7-20-13/h2-9,19H,10H2,1H3/b17-9+
InChIKeyYLXBSFZMXHRPFX-RQZCQDPDSA-N
XLogP4.69
TPSA50.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione
CID 137249229
2-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-5-(4-methylphenyl)imino-1,3-oxazole-4-carbonitrile
CID 135416835
4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione
CID 3774507
3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135652843
5-[(3,4-dimethylphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668319
3-cyclopentyl-4-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione
CID 135398844
5-(1H-benzimidazol-2-yliminomethyl)-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 1325662
4-[(Z)-[(Z)-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]phenol
CID 136757593
N-(3-methylphenyl)-1-thiophen-2-ylmethanimine
CID 13481551
1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-5-[(4-nitrophenyl)iminomethyl]-2-oxopyridine-3-carbonitrile
CID 135668340
5-[(3-chlorophenyl)diazenyl]-1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835056
5-[(5-chloro-2-methylphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144724

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione?
The IUPAC name of 3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione (CID 137249186) is 3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione?
The canonical SMILES for 3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione is Cc1cccc(/N=C/c2sc(=S)n(Cc3ccco3)c2O)c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione?
The InChIKey is YLXBSFZMXHRPFX-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-11-4-2-5-12(8-11)17-9-14-15(19)18(16(21)22-14)10-13-6-3-7-20-13/h2-9,19H,10H2,1H3/b17-9+.
What are the key properties of 3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione?
3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione has a molecular weight of 330.43 g/mol, XLogP of 4.69, 4 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-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 137249186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).