5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine

C15H18N4S — CID 146038579

IUPAC5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(N2CCC3(CCc4ccccc43)CC2)s1
InChIInChI=1S/C15H18N4S/c16-13-17-18-14(20-13)19-9-7-15(8-10-19)6-5-11-3-1-2-4-12(11)15/h1-4H,5-10H2,(H2,16,17)
InChIKeyLJOIEHDBIOPBSN-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.60
Rot. Bonds1

About 5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine

5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine (PubChem CID 146038579) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine
PubChem CID146038579
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(N2CCC3(CCc4ccccc43)CC2)s1
InChIInChI=1S/C15H18N4S/c16-13-17-18-14(20-13)19-9-7-15(8-10-19)6-5-11-3-1-2-4-12(11)15/h1-4H,5-10H2,(H2,16,17)
InChIKeyLJOIEHDBIOPBSN-UHFFFAOYSA-N
XLogP2.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline
CID 123665927
ethane;methanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339109
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146040653
(1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol
CID 124886104
cyclohexanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339125
5-bromo-1,3,4-thiadiazol-2-amine;5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine
CID 159600129
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 6917210
8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid
CID 163333381
3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 127034554
1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 163880046

Frequently Asked Questions

What is the IUPAC name of 5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine (CID 146038579) is 5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine is Nc1nnc(N2CCC3(CCc4ccccc43)CC2)s1.
What is the InChIKey of 5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is LJOIEHDBIOPBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c16-13-17-18-14(20-13)19-9-7-15(8-10-19)6-5-11-3-1-2-4-12(11)15/h1-4H,5-10H2,(H2,16,17).
What are the key properties of 5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine?
5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 286.40 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 146038579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).