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

C12H8N2OS2 — CID 135469806

IUPAC5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(S)c(/C=C2\C=Nc3ccccc32)s1
InChIInChI=1S/C12H8N2OS2/c15-12-14-11(16)10(17-12)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,16H,(H,14,15)/b7-5+
InChIKeyUWMSZMZKWBGDAW-FNORWQNLSA-N
MW260.34 g/mol
LogP2.98
Rot. Bonds1

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

5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one (PubChem CID 135469806) has the molecular formula C12H8N2OS2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one
PubChem CID135469806
Molecular FormulaC12H8N2OS2
Molecular Weight260.34 g/mol
Exact Mass260.01
IUPAC Name5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(S)c(/C=C2\C=Nc3ccccc32)s1
InChIInChI=1S/C12H8N2OS2/c15-12-14-11(16)10(17-12)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,16H,(H,14,15)/b7-5+
InChIKeyUWMSZMZKWBGDAW-FNORWQNLSA-N
XLogP2.98
TPSA45.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Rhodanine, 5-(3-indolylmethylene)-
CID 135501994
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 135448748
(Z)-5-((1H-indol-3-yl)methylene)thiazolidine-2,4-dione
CID 135420896
3-Methylideneindol-1-ium
CID 18763384
3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
CID 135935133
(5Z)-5-[(1H-indol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1543949
3-Ethyl-5-(indol-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 135400590
(5Z)-4-hydroxy-5-(1H-indol-3-ylmethylidene)-1,3-thiazole-2(5H)-thione
CID 135420903
(5Z)-5-[(1H-indol-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 1386732
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione
CID 135719225
5-((1H-Indol-3-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one
CID 349343
5-((1H-Indol-3-yl)methylene)-2-thioxothiazolidin-4-one
CID 1206903

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one (CID 135469806) is 5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one is O=c1[nH]c(S)c(/C=C2\C=Nc3ccccc32)s1.
What is the InChIKey of 5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one?
The InChIKey is UWMSZMZKWBGDAW-FNORWQNLSA-N. The full InChI is InChI=1S/C12H8N2OS2/c15-12-14-11(16)10(17-12)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,16H,(H,14,15)/b7-5+.
What are the key properties of 5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one?
5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-indol-3-ylidenemethyl]-4-sulfanyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 135469806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).