5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one

C17H15N3O3S — CID 24754174

IUPAC5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
SMILESCOc1ccc(C2=NNC3(S2)C(=O)Nc2ccc(OC)cc23)cc1
InChIInChI=1S/C17H15N3O3S/c1-22-11-5-3-10(4-6-11)15-19-20-17(24-15)13-9-12(23-2)7-8-14(13)18-16(17)21/h3-9,20H,1-2H3,(H,18,21)
InChIKeyCPPNALXTDUZLGK-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.51
Rot. Bonds3

About 5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one

5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one (PubChem CID 24754174) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one.

Molecular Properties

Compound Name5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
PubChem CID24754174
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
SMILESCOc1ccc(C2=NNC3(S2)C(=O)Nc2ccc(OC)cc23)cc1
InChIInChI=1S/C17H15N3O3S/c1-22-11-5-3-10(4-6-11)15-19-20-17(24-15)13-9-12(23-2)7-8-14(13)18-16(17)21/h3-9,20H,1-2H3,(H,18,21)
InChIKeyCPPNALXTDUZLGK-UHFFFAOYSA-N
XLogP2.51
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
The IUPAC name of 5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one (CID 24754174) is 5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one.
What is the SMILES notation for 5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
The canonical SMILES for 5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one is COc1ccc(C2=NNC3(S2)C(=O)Nc2ccc(OC)cc23)cc1.
What is the InChIKey of 5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
The InChIKey is CPPNALXTDUZLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-11-5-3-10(4-6-11)15-19-20-17(24-15)13-9-12(23-2)7-8-14(13)18-16(17)21/h3-9,20H,1-2H3,(H,18,21).
What are the key properties of 5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one?
5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one has a molecular weight of 341.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one is sourced from PubChem (CID 24754174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).