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

C21H15N3OS — CID 24753024

IUPAC1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
SMILESO=C1N(c2ccccc2)c2ccccc2C12NN=C(c1ccccc1)S2
InChIInChI=1S/C21H15N3OS/c25-20-21(23-22-19(26-21)15-9-3-1-4-10-15)17-13-7-8-14-18(17)24(20)16-11-5-2-6-12-16/h1-14,23H
InChIKeyAVHGVNUKOVLQOX-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.22
Rot. Bonds2

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

1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one (PubChem CID 24753024) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
PubChem CID24753024
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC Name1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
SMILESO=C1N(c2ccccc2)c2ccccc2C12NN=C(c1ccccc1)S2
InChIInChI=1S/C21H15N3OS/c25-20-21(23-22-19(26-21)15-9-3-1-4-10-15)17-13-7-8-14-18(17)24(20)16-11-5-2-6-12-16/h1-14,23H
InChIKeyAVHGVNUKOVLQOX-UHFFFAOYSA-N
XLogP4.22
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
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

3-(diphenylhydrazinylidene)-1,3-dihydro-2H-indol-2-one
CID 135439090
Adamts-5-IN-2
CID 3136571
10-Ethyl-5-(4-methylphenyl)spiro[1,3,4-thiadiazoline-2,3'-indoline]-7-one
CID 3136668
Thiadiazole derivative, 31
CID 24180584
5'-(4-methylphenyl)-2-spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]one
CID 3136666
5'-bromo-5-phenyl-spiro(3H-1,3,4-thiadiazole-2,3'-indoline)-2'-one
CID 3136622
Thiadiazole derivative, 29
CID 3136667
Thiadiazole derivative, 14
CID 3872724
Thiadiazole derivative, 30
CID 24752939
Thiadiazole derivative, 16
CID 24753023
Thiadiazole derivative, 27
CID 24753026
6,7-dimethyl-5'-phenyl-1,2',3,3'-tetrahydrospiro(2H-indole-3,2'-[1,3,4]-thiadiazole)-2-one
CID 3154349

Frequently Asked Questions

What is the IUPAC name of 1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one?
The IUPAC name of 1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one (CID 24753024) is 1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one.
What is the SMILES notation for 1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one?
The canonical SMILES for 1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one is O=C1N(c2ccccc2)c2ccccc2C12NN=C(c1ccccc1)S2.
What is the InChIKey of 1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one?
The InChIKey is AVHGVNUKOVLQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-20-21(23-22-19(26-21)15-9-3-1-4-10-15)17-13-7-8-14-18(17)24(20)16-11-5-2-6-12-16/h1-14,23H.
What are the key properties of 1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one?
1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one has a molecular weight of 357.44 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5-diphenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one is sourced from PubChem (CID 24753024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).