1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one

C18H20N4O2S — CID 56889274

IUPAC1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCCc1nnsc1C(=O)N1CCCC2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C18H20N4O2S/c1-3-13-15(25-20-19-13)16(23)22-10-6-9-18(11-22)12-7-4-5-8-14(12)21(2)17(18)24/h4-5,7-8H,3,6,9-11H2,1-2H3
InChIKeyZUBWBJLUUGVXNF-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.25
Rot. Bonds2

About 1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one

1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one (PubChem CID 56889274) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
PubChem CID56889274
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCCc1nnsc1C(=O)N1CCCC2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C18H20N4O2S/c1-3-13-15(25-20-19-13)16(23)22-10-6-9-18(11-22)12-7-4-5-8-14(12)21(2)17(18)24/h4-5,7-8H,3,6,9-11H2,1-2H3
InChIKeyZUBWBJLUUGVXNF-UHFFFAOYSA-N
XLogP2.25
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of 1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one (CID 56889274) is 1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one is CCc1nnsc1C(=O)N1CCCC2(C1)C(=O)N(C)c1ccccc12.
What is the InChIKey of 1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The InChIKey is ZUBWBJLUUGVXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-13-15(25-20-19-13)16(23)22-10-6-9-18(11-22)12-7-4-5-8-14(12)21(2)17(18)24/h4-5,7-8H,3,6,9-11H2,1-2H3.
What are the key properties of 1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one has a molecular weight of 356.45 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 56889274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).