4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one

C12H8N2O2S — CID 135420896

IUPAC4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=C2\C=Nc3ccccc32)s1
InChIInChI=1S/C12H8N2O2S/c15-11-10(17-12(16)14-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,15H,(H,14,16)/b7-5+
InChIKeyHNYJSNHOKJLPCW-FNORWQNLSA-N
MW244.28 g/mol
LogP2.40
Rot. Bonds1

About 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one (PubChem CID 135420896) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one
PubChem CID135420896
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=C2\C=Nc3ccccc32)s1
InChIInChI=1S/C12H8N2O2S/c15-11-10(17-12(16)14-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,15H,(H,14,16)/b7-5+
InChIKeyHNYJSNHOKJLPCW-FNORWQNLSA-N
XLogP2.40
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one (CID 135420896) is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(/C=C2\C=Nc3ccccc32)s1.
What is the InChIKey of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one?
The InChIKey is HNYJSNHOKJLPCW-FNORWQNLSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-11-10(17-12(16)14-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,15H,(H,14,16)/b7-5+.
What are the key properties of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one has a molecular weight of 244.28 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 135420896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).