5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one

C15H11N3OS — CID 3561957

IUPAC5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
SMILESO=C1Nc2ccccc2C12NN=C(c1ccccc1)S2
InChIInChI=1S/C15H11N3OS/c19-14-15(11-8-4-5-9-12(11)16-14)18-17-13(20-15)10-6-2-1-3-7-10/h1-9,18H,(H,16,19)
InChIKeyOPMUPUCYNXWWEB-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.49
Rot. Bonds1

About 5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one

5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one (PubChem CID 3561957) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one.

Molecular Properties

Compound Name5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
PubChem CID3561957
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
SMILESO=C1Nc2ccccc2C12NN=C(c1ccccc1)S2
InChIInChI=1S/C15H11N3OS/c19-14-15(11-8-4-5-9-12(11)16-14)18-17-13(20-15)10-6-2-1-3-7-10/h1-9,18H,(H,16,19)
InChIKeyOPMUPUCYNXWWEB-UHFFFAOYSA-N
XLogP2.49
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_B(2)', 'substructure': 'N/A'}

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Related Compounds

5'-bromo-5-phenyl-spiro(3H-1,3,4-thiadiazole-2,3'-indoline)-2'-one
CID 3136622
Adamts-5-IN-2
CID 3136571
10-Ethyl-5-(4-methylphenyl)spiro[1,3,4-thiadiazoline-2,3'-indoline]-7-one
CID 3136668
6,7-dimethyl-5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 3154349
Thiadiazole derivative, 31
CID 24180584
5'-(4-methylphenyl)-2-spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]one
CID 3136666
3H-spiro[1,3-benzothiazole-2,3'-indol]-2'(1'H)-one
CID 332978
5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 3154392
5'-(6-methyl-2-oxo-3,6-dihydro-1,3,4-thiadiazin-5-yl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
CID 15111540
3-phenylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 2816054
Thiadiazole derivative, 29
CID 3136667
Thiadiazole derivative, 14
CID 3872724

Frequently Asked Questions

What is the IUPAC name of 5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
The IUPAC name of 5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one (CID 3561957) is 5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one.
What is the SMILES notation for 5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
The canonical SMILES for 5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one is O=C1Nc2ccccc2C12NN=C(c1ccccc1)S2.
What is the InChIKey of 5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
The InChIKey is OPMUPUCYNXWWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c19-14-15(11-8-4-5-9-12(11)16-14)18-17-13(20-15)10-6-2-1-3-7-10/h1-9,18H,(H,16,19).
What are the key properties of 5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one has a molecular weight of 281.34 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one is sourced from PubChem (CID 3561957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).