5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one

C16H12ClN3O2S — CID 155223867

IUPAC5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
SMILESCOc1ccc2c(c1)C1(NN=C(c3ccc(Cl)cc3)S1)C(=O)N2
InChIInChI=1S/C16H12ClN3O2S/c1-22-11-6-7-13-12(8-11)16(15(21)18-13)20-19-14(23-16)9-2-4-10(17)5-3-9/h2-8,20H,1H3,(H,18,21)
InChIKeyRTABSFKOGGIRFX-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.15
Rot. Bonds2

About 5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one

5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one (PubChem CID 155223867) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is 5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one.

Molecular Properties

Compound Name5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
PubChem CID155223867
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC Name5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
SMILESCOc1ccc2c(c1)C1(NN=C(c3ccc(Cl)cc3)S1)C(=O)N2
InChIInChI=1S/C16H12ClN3O2S/c1-22-11-6-7-13-12(8-11)16(15(21)18-13)20-19-14(23-16)9-2-4-10(17)5-3-9/h2-8,20H,1H3,(H,18,21)
InChIKeyRTABSFKOGGIRFX-UHFFFAOYSA-N
XLogP3.15
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 24754174
6-chloro-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 24754177
5-methoxy-5'-[6-(trifluoromethyl)-3-pyridinyl]spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 155223894
5-ethyl-5'-(3-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 24752937
5-methoxy-5'-pyridin-3-ylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one;2,2,2-trifluoroacetic acid
CID 155713512
3-(4-chlorophenyl)-3-ethyl-5-methoxy-1H-indol-2-one
CID 126473327
5'-(3-methylphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 11507626
5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
CID 126472533
5'-(2-hydroxyphenyl)-5-methylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 3643744
3-chloro-5-methoxy-3-methylsulfanyl-1H-indol-2-one
CID 24974230
(3R)-3-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-5-chloro-3-hydroxy-1H-indol-2-one
CID 2380906
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517

Frequently Asked Questions

What is the IUPAC name of 5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
The IUPAC name of 5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one (CID 155223867) is 5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one.
What is the SMILES notation for 5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
The canonical SMILES for 5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one is COc1ccc2c(c1)C1(NN=C(c3ccc(Cl)cc3)S1)C(=O)N2.
What is the InChIKey of 5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
The InChIKey is RTABSFKOGGIRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c1-22-11-6-7-13-12(8-11)16(15(21)18-13)20-19-14(23-16)9-2-4-10(17)5-3-9/h2-8,20H,1H3,(H,18,21).
What are the key properties of 5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one has a molecular weight of 345.81 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one is sourced from PubChem (CID 155223867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).