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

C15H23N3O2S — CID 3235317

IUPACmethyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CCCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C15H23N3O2S/c1-20-14(19)18-8-4-15(5-9-18)3-2-7-17(12-15)11-13-16-6-10-21-13/h6,10H,2-5,7-9,11-12H2,1H3
InChIKeyUIWUVOLTFDUWIJ-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.59
Rot. Bonds2

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

methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3235317) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3235317
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Namemethyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CCCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C15H23N3O2S/c1-20-14(19)18-8-4-15(5-9-18)3-2-7-17(12-15)11-13-16-6-10-21-13/h6,10H,2-5,7-9,11-12H2,1H3
InChIKeyUIWUVOLTFDUWIJ-UHFFFAOYSA-N
XLogP2.59
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233568
1-[2-(1,3-Thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 3234275
Ethyl 4-(2-thiazolyl)[1,4'-bipiperidine]-1'-carboxylate
CID 78318313
1-[9-(1,3-Thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 3232808
2-Methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 3232938
2-Methoxy-1-(9-(thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 3233136
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
Methyl 9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3234369
4-[3-(1,3-Thiazol-2-yl)propyl]piperidine-1-carboxylic acid
CID 67084683
Butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 69207926
Methyl 2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118303335
2-[(4-Methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole
CID 144858579

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3235317) is methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate is COC(=O)N1CCC2(CCCN(Cc3nccs3)C2)CC1.
What is the InChIKey of methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is UIWUVOLTFDUWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-20-14(19)18-8-4-15(5-9-18)3-2-7-17(12-15)11-13-16-6-10-21-13/h6,10H,2-5,7-9,11-12H2,1H3.
What are the key properties of methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 309.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3235317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).