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

C15H24N2OS — CID 91836716

IUPAC2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane
SMILESCc1nc(CCN2CCCC3(CCOCC3)C2)cs1
InChIInChI=1S/C15H24N2OS/c1-13-16-14(11-19-13)3-8-17-7-2-4-15(12-17)5-9-18-10-6-15/h11H,2-10,12H2,1H3
InChIKeyBCIYSDFUBIQJCQ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.89
Rot. Bonds3

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

2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 91836716) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane
PubChem CID91836716
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane
SMILESCc1nc(CCN2CCCC3(CCOCC3)C2)cs1
InChIInChI=1S/C15H24N2OS/c1-13-16-14(11-19-13)3-8-17-7-2-4-15(12-17)5-9-18-10-6-15/h11H,2-10,12H2,1H3
InChIKeyBCIYSDFUBIQJCQ-UHFFFAOYSA-N
XLogP2.89
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole
CID 100903513
4-[2-(6,10-diazaspiro[4.6]undecan-10-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043606
4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043482
1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494995
11-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131651335
2-methyl-4-[2-(10-propan-2-yl-3-azaspiro[5.5]undecan-3-yl)ethyl]-1,3-thiazole
CID 155632192
(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472144
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134072920
(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97494944
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane (CID 91836716) is 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane is Cc1nc(CCN2CCCC3(CCOCC3)C2)cs1.
What is the InChIKey of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is BCIYSDFUBIQJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-13-16-14(11-19-13)3-8-17-7-2-4-15(12-17)5-9-18-10-6-15/h11H,2-10,12H2,1H3.
What are the key properties of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane?
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 280.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 91836716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).