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

C14H12N2O2S2 — CID 135778482

IUPAC4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione
SMILESCOc1ccc2c(c1)N=C/C2=C\c1sc(=S)n(C)c1O
InChIInChI=1S/C14H12N2O2S2/c1-16-13(17)12(20-14(16)19)5-8-7-15-11-6-9(18-2)3-4-10(8)11/h3-7,17H,1-2H3/b8-5+
InChIKeyGKZLZVHFTGGEKJ-VMPITWQZSA-N
MW304.40 g/mol
LogP3.79
Rot. Bonds2

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

4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione (PubChem CID 135778482) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione
PubChem CID135778482
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione
SMILESCOc1ccc2c(c1)N=C/C2=C\c1sc(=S)n(C)c1O
InChIInChI=1S/C14H12N2O2S2/c1-16-13(17)12(20-14(16)19)5-8-7-15-11-6-9(18-2)3-4-10(8)11/h3-7,17H,1-2H3/b8-5+
InChIKeyGKZLZVHFTGGEKJ-VMPITWQZSA-N
XLogP3.79
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[(E)-(6-methoxyindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135652843
3-[4-hydroxy-5-[(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 4974523
4-[4-hydroxy-5-[(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanoic acid
CID 4898250
3-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]-7-methoxyquinolin-2-one
CID 135904093
5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
CID 135924939
3-[4-hydroxy-5-[(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoic acid
CID 136920037
4-hydroxy-N-[4-hydroxy-5-[(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzamide
CID 135924899
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-2-thione
CID 137126764
5-[(6-methoxyindol-3-ylidene)methyl]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
CID 135925028
5-[(5-bromoindol-3-ylidene)methyl]-3-(2,5-dimethylpyrrol-1-yl)-4-hydroxy-1,3-thiazole-2-thione
CID 137126657
4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one
CID 172770860

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione (CID 135778482) is 4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione is COc1ccc2c(c1)N=C/C2=C\c1sc(=S)n(C)c1O.
What is the InChIKey of 4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione?
The InChIKey is GKZLZVHFTGGEKJ-VMPITWQZSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-16-13(17)12(20-14(16)19)5-8-7-15-11-6-9(18-2)3-4-10(8)11/h3-7,17H,1-2H3/b8-5+.
What are the key properties of 4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione?
4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione has a molecular weight of 304.40 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(Z)-(6-methoxyindol-3-ylidene)methyl]-3-methyl-1,3-thiazole-2-thione is sourced from PubChem (CID 135778482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).