4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

C11H17N3OS — CID 134394885

IUPAC4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1csc(N2CCOC3(CCNCC3)C2)n1
InChIInChI=1S/C11H17N3OS/c1-3-12-4-2-11(1)9-14(6-7-15-11)10-13-5-8-16-10/h5,8,12H,1-4,6-7,9H2
InChIKeyYWPXUOZGWMFSIU-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.10
Rot. Bonds1

About 4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 134394885) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID134394885
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1csc(N2CCOC3(CCNCC3)C2)n1
InChIInChI=1S/C11H17N3OS/c1-3-12-4-2-11(1)9-14(6-7-15-11)10-13-5-8-16-10/h5,8,12H,1-4,6-7,9H2
InChIKeyYWPXUOZGWMFSIU-UHFFFAOYSA-N
XLogP1.10
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138380428
2-(2,7-diazaspiro[4.5]decan-7-yl)-1,3-thiazole
CID 122559168
2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
CID 142313551
pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 134072513
(6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494547
(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 58168456
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3-thiazole
CID 60916661
2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole
CID 97393771
4-(2-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride
CID 154921209
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
[6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135097694
(2-chlorophenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 97449217

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 134394885) is 4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is c1csc(N2CCOC3(CCNCC3)C2)n1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is YWPXUOZGWMFSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-12-4-2-11(1)9-14(6-7-15-11)10-13-5-8-16-10/h5,8,12H,1-4,6-7,9H2.
What are the key properties of 4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 239.34 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 134394885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).