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

C13H21N3OS — CID 71847476

IUPAC9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCC(C)c1nsc(N2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C13H21N3OS/c1-10(2)11-14-12(18-15-11)16-7-8-17-13(9-16)5-3-4-6-13/h10H,3-9H2,1-2H3
InChIKeyRGBLJZMSPOJFFU-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.81
Rot. Bonds2

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

9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71847476) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID71847476
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCC(C)c1nsc(N2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C13H21N3OS/c1-10(2)11-14-12(18-15-11)16-7-8-17-13(9-16)5-3-4-6-13/h10H,3-9H2,1-2H3
InChIKeyRGBLJZMSPOJFFU-UHFFFAOYSA-N
XLogP2.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-Ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916040
(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
5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126422630
[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol
CID 126835894
3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164635685
3-(Methoxymethyl)-5-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 126819095
3-(Fluoromethyl)-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 155941734
9-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71968532
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
3-(1-ethoxycyclopentyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 113563437

Frequently Asked Questions

What is the IUPAC name of 9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane (CID 71847476) is 9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane is CC(C)c1nsc(N2CCOC3(CCCC3)C2)n1.
What is the InChIKey of 9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is RGBLJZMSPOJFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10(2)11-14-12(18-15-11)16-7-8-17-13(9-16)5-3-4-6-13/h10H,3-9H2,1-2H3.
What are the key properties of 9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane?
9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 267.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71847476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).