5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one

C18H17N3OS — CID 3154392

IUPAC5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
SMILESCC(C)c1ccc2c(c1)C1(NN=C(c3ccccc3)S1)C(=O)N2
InChIInChI=1S/C18H17N3OS/c1-11(2)13-8-9-15-14(10-13)18(17(22)19-15)21-20-16(23-18)12-6-4-3-5-7-12/h3-11,21H,1-2H3,(H,19,22)
InChIKeyHAUQIWOBYGUGLK-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.61
Rot. Bonds2

About 5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one

5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one (PubChem CID 3154392) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one.

Molecular Properties

Compound Name5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
PubChem CID3154392
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
SMILESCC(C)c1ccc2c(c1)C1(NN=C(c3ccccc3)S1)C(=O)N2
InChIInChI=1S/C18H17N3OS/c1-11(2)13-8-9-15-14(10-13)18(17(22)19-15)21-20-16(23-18)12-6-4-3-5-7-12/h3-11,21H,1-2H3,(H,19,22)
InChIKeyHAUQIWOBYGUGLK-UHFFFAOYSA-N
XLogP3.61
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.61
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

3,3-dimethyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one
CID 10084561
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
6-methyl-5-(2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one
CID 9947843
1,3-dihydro-5(3,6-dihydro-6-methyl-2-oxo-2H-1,3,4 thiadiazin-5-yl)-3,3 dimethyl-2H-indol-2-one
CID 15111517
5'-(6-methyl-2-oxo-3,6-dihydro-1,3,4-thiadiazin-5-yl)spiro[1,3-dithiane-2,3'-1H-indole]-2'-one
CID 15111541
Thiadiazole derivative, 31
CID 24180584
5'-(4-methylphenyl)-2-spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]one
CID 3136666
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
1-(1-naphthylmethyl)-5'-phenyl-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-2(1H)-one
CID 2871734

Frequently Asked Questions

What is the IUPAC name of 5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
The IUPAC name of 5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one (CID 3154392) is 5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one.
What is the SMILES notation for 5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
The canonical SMILES for 5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one is CC(C)c1ccc2c(c1)C1(NN=C(c3ccccc3)S1)C(=O)N2.
What is the InChIKey of 5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
The InChIKey is HAUQIWOBYGUGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-11(2)13-8-9-15-14(10-13)18(17(22)19-15)21-20-16(23-18)12-6-4-3-5-7-12/h3-11,21H,1-2H3,(H,19,22).
What are the key properties of 5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one has a molecular weight of 323.42 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-phenyl-5-propan-2-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one is sourced from PubChem (CID 3154392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).