2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone

C16H19N5OS2 — CID 118777229

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
SMILESNc1nnc(SCC(=O)N2CCC3(CC2)CNc2ccccc23)s1
InChIInChI=1S/C16H19N5OS2/c17-14-19-20-15(24-14)23-9-13(22)21-7-5-16(6-8-21)10-18-12-4-2-1-3-11(12)16/h1-4,18H,5-10H2,(H2,17,19)
InChIKeyCMROAPPOVVBISO-UHFFFAOYSA-N
MW361.50 g/mol
LogP2.20
Rot. Bonds3

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone (PubChem CID 118777229) has the molecular formula C16H19N5OS2 and a molecular weight of 361.50 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
PubChem CID118777229
Molecular FormulaC16H19N5OS2
Molecular Weight361.50 g/mol
Exact Mass361.10
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
SMILESNc1nnc(SCC(=O)N2CCC3(CC2)CNc2ccccc23)s1
InChIInChI=1S/C16H19N5OS2/c17-14-19-20-15(24-14)23-9-13(22)21-7-5-16(6-8-21)10-18-12-4-2-1-3-11(12)16/h1-4,18H,5-10H2,(H2,17,19)
InChIKeyCMROAPPOVVBISO-UHFFFAOYSA-N
XLogP2.20
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone (CID 118777229) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone is Nc1nnc(SCC(=O)N2CCC3(CC2)CNc2ccccc23)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone?
The InChIKey is CMROAPPOVVBISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS2/c17-14-19-20-15(24-14)23-9-13(22)21-7-5-16(6-8-21)10-18-12-4-2-1-3-11(12)16/h1-4,18H,5-10H2,(H2,17,19).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone has a molecular weight of 361.50 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 118777229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).