3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione

C18H14N2O3S2 — CID 135652843

IUPAC3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione
SMILESCOc1ccc2c(c1)N=C/C2=C/c1sc(=S)n(Cc2ccco2)c1O
InChIInChI=1S/C18H14N2O3S2/c1-22-12-4-5-14-11(9-19-15(14)8-12)7-16-17(21)20(18(24)25-16)10-13-3-2-6-23-13/h2-9,21H,10H2,1H3/b11-7-
InChIKeyJDRNRACXVMOQCY-XFFZJAGNSA-N
MW370.46 g/mol
LogP4.89
Rot. Bonds4

About 3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione

3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione (PubChem CID 135652843) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione
PubChem CID135652843
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC Name3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione
SMILESCOc1ccc2c(c1)N=C/C2=C/c1sc(=S)n(Cc2ccco2)c1O
InChIInChI=1S/C18H14N2O3S2/c1-22-12-4-5-14-11(9-19-15(14)8-12)7-16-17(21)20(18(24)25-16)10-13-3-2-6-23-13/h2-9,21H,10H2,1H3/b11-7-
InChIKeyJDRNRACXVMOQCY-XFFZJAGNSA-N
XLogP4.89
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-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

Related Compounds

5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-2-thione
CID 137126764
4-[4-hydroxy-5-[(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanoic acid
CID 4898250
5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol
CID 135904014
3-(furan-2-ylmethyl)-4-hydroxy-5-[(3-methylphenyl)iminomethyl]-1,3-thiazole-2-thione
CID 137249186
3-(furan-2-ylmethyl)-4-hydroxy-5-[(2-hydroxyphenyl)iminomethyl]-1,3-thiazole-2-thione
CID 137249229
3-ethyl-4-hydroxy-5-(pyrrolo[3,2-b]pyridin-3-ylidenemethyl)-1,3-thiazole-2-thione
CID 172749622
10-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]decanoic acid
CID 135948375
5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
CID 135924939
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
3-benzyl-5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazole-2-thione
CID 135504626
2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]butanedioic acid
CID 3852208
(2S)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanoate
CID 135830604

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione?
The IUPAC name of 3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione (CID 135652843) is 3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione?
The canonical SMILES for 3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione is COc1ccc2c(c1)N=C/C2=C/c1sc(=S)n(Cc2ccco2)c1O.
What is the InChIKey of 3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione?
The InChIKey is JDRNRACXVMOQCY-XFFZJAGNSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c1-22-12-4-5-14-11(9-19-15(14)8-12)7-16-17(21)20(18(24)25-16)10-13-3-2-6-23-13/h2-9,21H,10H2,1H3/b11-7-.
What are the key properties of 3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione?
3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione has a molecular weight of 370.46 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-4-hydroxy-5-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 135652843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).