methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate

C15H22N2O2S — CID 115424343

IUPACmethyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2CCC3(CCCCC3)CC2)n1
InChIInChI=1S/C15H22N2O2S/c1-19-13(18)12-11-20-14(16-12)17-9-7-15(8-10-17)5-3-2-4-6-15/h11H,2-10H2,1H3
InChIKeyVSFVTDHQDGCXRH-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.48
Rot. Bonds2

About methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate

methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115424343) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate
PubChem CID115424343
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Namemethyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2CCC3(CCCCC3)CC2)n1
InChIInChI=1S/C15H22N2O2S/c1-19-13(18)12-11-20-14(16-12)17-9-7-15(8-10-17)5-3-2-4-6-15/h11H,2-10H2,1H3
InChIKeyVSFVTDHQDGCXRH-UHFFFAOYSA-N
XLogP3.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxylate
CID 70845976
methyl 2-(3,5-dioxopiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 115424764
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate
CID 104961725
methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115423691
methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate
CID 126840041
methyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate
CID 113307120
methyl 2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 113307122
methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 113306904
methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate
CID 75374215
methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115423688
methyl 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 70845805

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate (CID 115424343) is methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N2CCC3(CCCCC3)CC2)n1.
What is the InChIKey of methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is VSFVTDHQDGCXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-13(18)12-11-20-14(16-12)17-9-7-15(8-10-17)5-3-2-4-6-15/h11H,2-10H2,1H3.
What are the key properties of methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate?
methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 294.42 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115424343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).