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

C15H14N2OS2 — CID 135719225

IUPAC4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione
SMILESCC(C)n1c(O)c(/C=C2\C=Nc3ccccc32)sc1=S
InChIInChI=1S/C15H14N2OS2/c1-9(2)17-14(18)13(20-15(17)19)7-10-8-16-12-6-4-3-5-11(10)12/h3-9,18H,1-2H3/b10-7+
InChIKeyGQXVAMZYOJOWRJ-JXMROGBWSA-N
MW302.42 g/mol
LogP4.82
Rot. Bonds2

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

4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione (PubChem CID 135719225) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione
PubChem CID135719225
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione
SMILESCC(C)n1c(O)c(/C=C2\C=Nc3ccccc32)sc1=S
InChIInChI=1S/C15H14N2OS2/c1-9(2)17-14(18)13(20-15(17)19)7-10-8-16-12-6-4-3-5-11(10)12/h3-9,18H,1-2H3/b10-7+
InChIKeyGQXVAMZYOJOWRJ-JXMROGBWSA-N
XLogP4.82
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-propan-2-yl-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione (CID 135719225) is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione is CC(C)n1c(O)c(/C=C2\C=Nc3ccccc32)sc1=S.
What is the InChIKey of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione?
The InChIKey is GQXVAMZYOJOWRJ-JXMROGBWSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-9(2)17-14(18)13(20-15(17)19)7-10-8-16-12-6-4-3-5-11(10)12/h3-9,18H,1-2H3/b10-7+.
What are the key properties of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione?
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione has a molecular weight of 302.42 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione is sourced from PubChem (CID 135719225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).