4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione

C17H11N3OS2 — CID 1322802

IUPAC4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione
SMILESOc1c(C=C2C=Nc3ccccc32)sc(=S)n1-c1cccnc1
InChIInChI=1S/C17H11N3OS2/c21-16-15(8-11-9-19-14-6-2-1-5-13(11)14)23-17(22)20(16)12-4-3-7-18-10-12/h1-10,21H
InChIKeyKOOPKXCVWRPLHZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.63
Rot. Bonds2

About 4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione

4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione (PubChem CID 1322802) has the molecular formula C17H11N3OS2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione
PubChem CID1322802
Molecular FormulaC17H11N3OS2
Molecular Weight337.43 g/mol
Exact Mass337.03
IUPAC Name4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione
SMILESOc1c(C=C2C=Nc3ccccc32)sc(=S)n1-c1cccnc1
InChIInChI=1S/C17H11N3OS2/c21-16-15(8-11-9-19-14-6-2-1-5-13(11)14)23-17(22)20(16)12-4-3-7-18-10-12/h1-10,21H
InChIKeyKOOPKXCVWRPLHZ-UHFFFAOYSA-N
XLogP4.63
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.63
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-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione
CID 135991435
ethyl 3-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate
CID 137266478
3-anilino-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
CID 137258007
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-[(1R)-1-phenylethyl]-1,3-thiazole-2-thione
CID 135783846
(2R)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoate
CID 135577590
2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 2873277
(2S)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 1202409
3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263324
3-hexyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
CID 135719223
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263318
(2S)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanedioic acid
CID 135562606

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione (CID 1322802) is 4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione is Oc1c(C=C2C=Nc3ccccc32)sc(=S)n1-c1cccnc1.
What is the InChIKey of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione?
The InChIKey is KOOPKXCVWRPLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS2/c21-16-15(8-11-9-19-14-6-2-1-5-13(11)14)23-17(22)20(16)12-4-3-7-18-10-12/h1-10,21H.
What are the key properties of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione?
4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione has a molecular weight of 337.43 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione is sourced from PubChem (CID 1322802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).