4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]

C15H17N3OS — CID 133413178

IUPAC4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
SMILESCc1nnc(N2CCOC3(CCc4ccccc43)C2)s1
InChIInChI=1S/C15H17N3OS/c1-11-16-17-14(20-11)18-8-9-19-15(10-18)7-6-12-4-2-3-5-13(12)15/h2-5H,6-10H2,1H3
InChIKeySZAKREADMOQWGC-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.52
Rot. Bonds1

About 4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]

4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine] (PubChem CID 133413178) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine].

Molecular Properties

Compound Name4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
PubChem CID133413178
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
SMILESCc1nnc(N2CCOC3(CCc4ccccc43)C2)s1
InChIInChI=1S/C15H17N3OS/c1-11-16-17-14(20-11)18-8-9-19-15(10-18)7-6-12-4-2-3-5-13(12)15/h2-5H,6-10H2,1H3
InChIKeySZAKREADMOQWGC-UHFFFAOYSA-N
XLogP2.52
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The IUPAC name of 4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine] (CID 133413178) is 4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine].
What is the SMILES notation for 4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The canonical SMILES for 4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine] is Cc1nnc(N2CCOC3(CCc4ccccc43)C2)s1.
What is the InChIKey of 4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The InChIKey is SZAKREADMOQWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-16-17-14(20-11)18-8-9-19-15(10-18)7-6-12-4-2-3-5-13(12)15/h2-5H,6-10H2,1H3.
What are the key properties of 4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine] has a molecular weight of 287.39 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(5-methyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine] is sourced from PubChem (CID 133413178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).