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

C17H21N3OS — CID 133413457

IUPAC4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
SMILESCCCc1nnc(N2CCOC3(CCc4ccccc43)C2)s1
InChIInChI=1S/C17H21N3OS/c1-2-5-15-18-19-16(22-15)20-10-11-21-17(12-20)9-8-13-6-3-4-7-14(13)17/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyXGBIKFQUSGEZEZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.17
Rot. Bonds3

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

4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine] (PubChem CID 133413457) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine].

Molecular Properties

Compound Name4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
PubChem CID133413457
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
SMILESCCCc1nnc(N2CCOC3(CCc4ccccc43)C2)s1
InChIInChI=1S/C17H21N3OS/c1-2-5-15-18-19-16(22-15)20-10-11-21-17(12-20)9-8-13-6-3-4-7-14(13)17/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyXGBIKFQUSGEZEZ-UHFFFAOYSA-N
XLogP3.17
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The IUPAC name of 4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine] (CID 133413457) is 4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine].
What is the SMILES notation for 4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The canonical SMILES for 4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine] is CCCc1nnc(N2CCOC3(CCc4ccccc43)C2)s1.
What is the InChIKey of 4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The InChIKey is XGBIKFQUSGEZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-5-15-18-19-16(22-15)20-10-11-21-17(12-20)9-8-13-6-3-4-7-14(13)17/h3-4,6-7H,2,5,8-12H2,1H3.
What are the key properties of 4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine] has a molecular weight of 315.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(5-propyl-1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine] is sourced from PubChem (CID 133413457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).