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

C15H16N4O2S — CID 126767959

IUPACN-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide
SMILESO=C(Nc1nncs1)N1CCOC2(CCc3ccccc32)C1
InChIInChI=1S/C15H16N4O2S/c20-14(17-13-18-16-10-22-13)19-7-8-21-15(9-19)6-5-11-3-1-2-4-12(11)15/h1-4,10H,5-9H2,(H,17,18,20)
InChIKeyXGKONKDPQVQEDW-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.24
Rot. Bonds1

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

N-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide (PubChem CID 126767959) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide
PubChem CID126767959
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide
SMILESO=C(Nc1nncs1)N1CCOC2(CCc3ccccc32)C1
InChIInChI=1S/C15H16N4O2S/c20-14(17-13-18-16-10-22-13)19-7-8-21-15(9-19)6-5-11-3-1-2-4-12(11)15/h1-4,10H,5-9H2,(H,17,18,20)
InChIKeyXGKONKDPQVQEDW-UHFFFAOYSA-N
XLogP2.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide (CID 126767959) is N-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide is O=C(Nc1nncs1)N1CCOC2(CCc3ccccc32)C1.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide?
The InChIKey is XGKONKDPQVQEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c20-14(17-13-18-16-10-22-13)19-7-8-21-15(9-19)6-5-11-3-1-2-4-12(11)15/h1-4,10H,5-9H2,(H,17,18,20).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide?
N-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carboxamide is sourced from PubChem (CID 126767959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).