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

C13H21N3OS — CID 97396257

IUPAC1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCCN1CCOCC12CCN(c1nccs1)CC2
InChIInChI=1S/C13H21N3OS/c1-2-16-8-9-17-11-13(16)3-6-15(7-4-13)12-14-5-10-18-12/h5,10H,2-4,6-9,11H2,1H3
InChIKeyXPFRHDSRTVALQX-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.83
Rot. Bonds2

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

1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396257) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396257
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCCN1CCOCC12CCN(c1nccs1)CC2
InChIInChI=1S/C13H21N3OS/c1-2-16-8-9-17-11-13(16)3-6-15(7-4-13)12-14-5-10-18-12/h5,10H,2-4,6-9,11H2,1H3
InChIKeyXPFRHDSRTVALQX-UHFFFAOYSA-N
XLogP1.83
TPSA28.60 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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396284
1-Methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396369
N-(2-morpholin-4-ylethyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 91662511
1-Ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118744726
1-(2-Methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118744727
3-Methyl-4-(1,3-thiazol-2-yl)morpholine
CID 130916889
Tert-butyl 4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134394752
4-(1,3-Thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 134394885
3-(1,3-Thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]
CID 153944422
4-(5-Piperidin-1-yl-1,3-thiazol-2-yl)morpholine
CID 153972048
Ethane;4-(1,3-thiazol-2-yl)morpholine
CID 166081683
5-(Piperidin-1-ylmethyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5,6-dihydro-1,4,2-dioxazine
CID 168178814

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396257) is 1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane is CCN1CCOCC12CCN(c1nccs1)CC2.
What is the InChIKey of 1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is XPFRHDSRTVALQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-16-8-9-17-11-13(16)3-6-15(7-4-13)12-14-5-10-18-12/h5,10H,2-4,6-9,11H2,1H3.
What are the key properties of 1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 267.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).