1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone

C19H14N2OS2 — CID 35027210

IUPAC1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nccs1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H14N2OS2/c22-16(12-24-19-20-10-11-23-19)17-14-8-4-5-9-15(14)21-18(17)13-6-2-1-3-7-13/h1-11,21H,12H2
InChIKeyLMEHKRIZVZEDSW-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.27
Rot. Bonds5

About 1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone

1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone (PubChem CID 35027210) has the molecular formula C19H14N2OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
PubChem CID35027210
Molecular FormulaC19H14N2OS2
Molecular Weight350.47 g/mol
Exact Mass350.05
IUPAC Name1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nccs1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H14N2OS2/c22-16(12-24-19-20-10-11-23-19)17-14-8-4-5-9-15(14)21-18(17)13-6-2-1-3-7-13/h1-11,21H,12H2
InChIKeyLMEHKRIZVZEDSW-UHFFFAOYSA-N
XLogP5.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone (CID 35027210) is 1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone is O=C(CSc1nccs1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone?
The InChIKey is LMEHKRIZVZEDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS2/c22-16(12-24-19-20-10-11-23-19)17-14-8-4-5-9-15(14)21-18(17)13-6-2-1-3-7-13/h1-11,21H,12H2.
What are the key properties of 1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone?
1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone has a molecular weight of 350.47 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 35027210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).