8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane

C11H16N2O2S — CID 112548802

IUPAC8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ncc(CN2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C11H16N2O2S/c1-3-13(8-10-7-12-9-16-10)4-2-11(1)14-5-6-15-11/h7,9H,1-6,8H2
InChIKeyDTWJKAOOIQMHHD-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.48
Rot. Bonds2

About 8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 112548802) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID112548802
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ncc(CN2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C11H16N2O2S/c1-3-13(8-10-7-12-9-16-10)4-2-11(1)14-5-6-15-11/h7,9H,1-6,8H2
InChIKeyDTWJKAOOIQMHHD-UHFFFAOYSA-N
XLogP1.48
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 130700479
2-ethyl-1'-(1,3-thiazol-5-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139169
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazol-5-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124975835
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 71683220
2-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanethioamide
CID 112640582
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254
5-(6,10-diazaspiro[4.6]undecan-10-ylmethyl)-1,3-thiazole
CID 112644971
8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 154766600

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 112548802) is 8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane is c1ncc(CN2CCC3(CC2)OCCO3)s1.
What is the InChIKey of 8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is DTWJKAOOIQMHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-13(8-10-7-12-9-16-10)4-2-11(1)14-5-6-15-11/h7,9H,1-6,8H2.
What are the key properties of 8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 240.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 112548802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).