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

C12H19N3OS — CID 138380428

IUPAC9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CN(c1nccs1)CCO2
InChIInChI=1S/C12H19N3OS/c1-14-5-2-12(3-6-14)10-15(7-8-16-12)11-13-4-9-17-11/h4,9H,2-3,5-8,10H2,1H3
InChIKeyFYYJWUZJTYVUHA-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.44
Rot. Bonds1

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

9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 138380428) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID138380428
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CN(c1nccs1)CCO2
InChIInChI=1S/C12H19N3OS/c1-14-5-2-12(3-6-14)10-15(7-8-16-12)11-13-4-9-17-11/h4,9H,2-3,5-8,10H2,1H3
InChIKeyFYYJWUZJTYVUHA-UHFFFAOYSA-N
XLogP1.44
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 134394885
2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole
CID 97393771
3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane
CID 131641802
acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
CID 154921869
9-methyl-4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138378631
4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382286
pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 134072513
[1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
CID 62975822
(6S)-11-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494547
4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138809532
N-(4-methoxyphenyl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131651487
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882

Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 138380428) is 9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is CN1CCC2(CC1)CN(c1nccs1)CCO2.
What is the InChIKey of 9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is FYYJWUZJTYVUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-14-5-2-12(3-6-14)10-15(7-8-16-12)11-13-4-9-17-11/h4,9H,2-3,5-8,10H2,1H3.
What are the key properties of 9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 253.37 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 138380428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).