8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C13H20N2O2S — CID 78962635

IUPAC8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ncsc1CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C13H20N2O2S/c1-11-12(18-10-14-11)2-5-15-6-3-13(4-7-15)16-8-9-17-13/h10H,2-9H2,1H3
InChIKeyIJEHFGBKKSOIAS-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.83
Rot. Bonds3

About 8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 78962635) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID78962635
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ncsc1CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C13H20N2O2S/c1-11-12(18-10-14-11)2-5-15-6-3-13(4-7-15)16-8-9-17-13/h10H,2-9H2,1H3
InChIKeyIJEHFGBKKSOIAS-UHFFFAOYSA-N
XLogP1.83
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113251758
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 3021501
5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole
CID 102850296
1-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]morpholin-2-yl]ethanamine
CID 81490775
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 47281792
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39161143
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 19893371
3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol
CID 114511001
1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 112628398
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
[6-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]morpholin-2-yl]methanol
CID 102935724

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 78962635) is 8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1ncsc1CCN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is IJEHFGBKKSOIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-12(18-10-14-11)2-5-15-6-3-13(4-7-15)16-8-9-17-13/h10H,2-9H2,1H3.
What are the key properties of 8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 268.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 78962635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).