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

C12H8N2OS2 — CID 1386732

IUPAC5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(S)c(C=C2C=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)
InChIKeyUWMSZMZKWBGDAW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.98
Rot. Bonds1

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

5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one (PubChem CID 1386732) has the molecular formula C12H8N2OS2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one
PubChem CID1386732
Molecular FormulaC12H8N2OS2
Molecular Weight260.34 g/mol
Exact Mass260.01
IUPAC Name5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(S)c(C=C2C=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)
InChIKeyUWMSZMZKWBGDAW-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one (CID 1386732) is 5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one is O=c1[nH]c(S)c(C=C2C=Nc3ccccc32)s1.
What is the InChIKey of 5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one?
The InChIKey is UWMSZMZKWBGDAW-UHFFFAOYSA-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).
What are the key properties of 5-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one?
5-(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-(indol-3-ylidenemethyl)-4-sulfanyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 1386732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).