9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane

C13H19N3OS — CID 71968532

IUPAC9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESC1CCC2(C1)CN(c1nc(C3CC3)ns1)CCO2
InChIInChI=1S/C13H19N3OS/c1-2-6-13(5-1)9-16(7-8-17-13)12-14-11(15-18-12)10-3-4-10/h10H,1-9H2
InChIKeyRCRYLESEDRDESV-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.56
Rot. Bonds2

About 9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane

9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71968532) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID71968532
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESC1CCC2(C1)CN(c1nc(C3CC3)ns1)CCO2
InChIInChI=1S/C13H19N3OS/c1-2-6-13(5-1)9-16(7-8-17-13)12-14-11(15-18-12)10-3-4-10/h10H,1-9H2
InChIKeyRCRYLESEDRDESV-UHFFFAOYSA-N
XLogP2.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71847476
9-(3-Ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916040
4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine
CID 71925342
(3R)-3-cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97827283
5-[4-(Cyclopentylmethoxy)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 121529097
3-Cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 75506049
(3S)-3-cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97827282
1-[[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]cyclopentan-1-ol
CID 115868714
4-[2-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338547
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378258
3-(2-Methylpropyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 133429037
4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylpropyl)morpholine
CID 133429040

Frequently Asked Questions

What is the IUPAC name of 9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane (CID 71968532) is 9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane is C1CCC2(C1)CN(c1nc(C3CC3)ns1)CCO2.
What is the InChIKey of 9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is RCRYLESEDRDESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-6-13(5-1)9-16(7-8-17-13)12-14-11(15-18-12)10-3-4-10/h10H,1-9H2.
What are the key properties of 9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane?
9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 265.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71968532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).