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

C17H11N3OS2 — CID 135420966

IUPAC4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione
SMILESOc1c(/C=C2\C=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/b11-8+
InChIKeyKOOPKXCVWRPLHZ-DHZHZOJOSA-N
MW337.43 g/mol
LogP4.63
Rot. Bonds2

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

4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione (PubChem CID 135420966) has the molecular formula C17H11N3OS2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione
PubChem CID135420966
Molecular FormulaC17H11N3OS2
Molecular Weight337.43 g/mol
Exact Mass337.03
IUPAC Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione
SMILESOc1c(/C=C2\C=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/b11-8+
InChIKeyKOOPKXCVWRPLHZ-DHZHZOJOSA-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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione (CID 135420966) is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione is Oc1c(/C=C2\C=Nc3ccccc32)sc(=S)n1-c1cccnc1.
What is the InChIKey of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione?
The InChIKey is KOOPKXCVWRPLHZ-DHZHZOJOSA-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/b11-8+.
What are the key properties of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione?
4-hydroxy-5-[(Z)-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-[(Z)-indol-3-ylidenemethyl]-3-pyridin-3-yl-1,3-thiazole-2-thione is sourced from PubChem (CID 135420966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).