2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane

C13H20N2OS — CID 74232931

IUPAC2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane
SMILESc1csc(CN2CCCC3(CCOCC3)C2)n1
InChIInChI=1S/C13H20N2OS/c1-2-13(3-7-16-8-4-13)11-15(6-1)10-12-14-5-9-17-12/h5,9H,1-4,6-8,10-11H2
InChIKeyWCVMFJYDYIGKHW-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.54
Rot. Bonds2

About 2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane

2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 74232931) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane
PubChem CID74232931
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane
SMILESc1csc(CN2CCCC3(CCOCC3)C2)n1
InChIInChI=1S/C13H20N2OS/c1-2-13(3-7-16-8-4-13)11-15(6-1)10-12-14-5-9-17-12/h5,9H,1-4,6-8,10-11H2
InChIKeyWCVMFJYDYIGKHW-UHFFFAOYSA-N
XLogP2.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-Thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 3234275
Methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3235317
[3-Propyl-1-(1,3-thiazol-2-ylmethyl)-3-piperidinyl]methanol
CID 72878293
[3-(3-Methoxypropyl)-1-(1,3-thiazol-2-ylmethyl)-3-piperidinyl]methanol
CID 72938969
2-[[2-(Oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370018
1-Methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396369
5-(Methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118744431
5-(Cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118744437
N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118745959
2-(Cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 50956237
3-(Ethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131643460
3-(Methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131660546

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane (CID 74232931) is 2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane is c1csc(CN2CCCC3(CCOCC3)C2)n1.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is WCVMFJYDYIGKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-13(3-7-16-8-4-13)11-15(6-1)10-12-14-5-9-17-12/h5,9H,1-4,6-8,10-11H2.
What are the key properties of 2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane?
2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 252.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 74232931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).