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

C13H21N3OS — CID 97396369

IUPAC1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCN1CCOCC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C13H21N3OS/c1-15-7-8-17-11-13(15)2-5-16(6-3-13)10-12-14-4-9-18-12/h4,9H,2-3,5-8,10-11H2,1H3
InChIKeyIBEPXRVIRKKKFZ-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.44
Rot. Bonds2

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

1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396369) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396369
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCN1CCOCC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C13H21N3OS/c1-15-7-8-17-11-13(15)2-5-16(6-3-13)10-12-14-4-9-18-12/h4,9H,2-3,5-8,10-11H2,1H3
InChIKeyIBEPXRVIRKKKFZ-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 95042861
2-[[2-(Oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370018
1-Ethyl-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396257
1-(2-Methoxyethyl)-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396284
N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118745959
2-Methyl-4-[2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]morpholine
CID 121537085
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,3-thiazole
CID 164638609
N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
CID 77091916
9-Methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372278
9-Ethylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372279
9-Propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 131640477
9-(2-Methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 131653802

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396369) is 1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is CN1CCOCC12CCN(Cc1nccs1)CC2.
What is the InChIKey of 1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is IBEPXRVIRKKKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-15-7-8-17-11-13(15)2-5-16(6-3-13)10-12-14-4-9-18-12/h4,9H,2-3,5-8,10-11H2,1H3.
What are the key properties of 1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 267.40 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).