(5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one

C13H18N4OS — CID 164641516

IUPAC(5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one
SMILESO=C1C[C@@]2(CCCN(c3nc(C4CC4)ns3)C2)CN1
InChIInChI=1S/C13H18N4OS/c18-10-6-13(7-14-10)4-1-5-17(8-13)12-15-11(16-19-12)9-2-3-9/h9H,1-8H2,(H,14,18)/t13-/m0/s1
InChIKeyAZKDJVTUIHMIJW-ZDUSSCGKSA-N
MW278.38 g/mol
LogP1.52
Rot. Bonds2

About (5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one

(5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one (PubChem CID 164641516) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is (5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one
PubChem CID164641516
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name(5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one
SMILESO=C1C[C@@]2(CCCN(c3nc(C4CC4)ns3)C2)CN1
InChIInChI=1S/C13H18N4OS/c18-10-6-13(7-14-10)4-1-5-17(8-13)12-15-11(16-19-12)9-2-3-9/h9H,1-8H2,(H,14,18)/t13-/m0/s1
InChIKeyAZKDJVTUIHMIJW-ZDUSSCGKSA-N
XLogP1.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one?
The IUPAC name of (5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one (CID 164641516) is (5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one is O=C1C[C@@]2(CCCN(c3nc(C4CC4)ns3)C2)CN1.
What is the InChIKey of (5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one?
The InChIKey is AZKDJVTUIHMIJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N4OS/c18-10-6-13(7-14-10)4-1-5-17(8-13)12-15-11(16-19-12)9-2-3-9/h9H,1-8H2,(H,14,18)/t13-/m0/s1.
What are the key properties of (5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one?
(5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one has a molecular weight of 278.38 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 164641516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).