2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole

C14H23N3S — CID 64939348

IUPAC2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
SMILESCC1CNC2(CCCC2)CN1C(C)c1nccs1
InChIInChI=1S/C14H23N3S/c1-11-9-16-14(5-3-4-6-14)10-17(11)12(2)13-15-7-8-18-13/h7-8,11-12,16H,3-6,9-10H2,1-2H3
InChIKeyWJIWKSBFDRBMOG-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.81
Rot. Bonds2

About 2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole

2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole (PubChem CID 64939348) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
PubChem CID64939348
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
SMILESCC1CNC2(CCCC2)CN1C(C)c1nccs1
InChIInChI=1S/C14H23N3S/c1-11-9-16-14(5-3-4-6-14)10-17(11)12(2)13-15-7-8-18-13/h7-8,11-12,16H,3-6,9-10H2,1-2H3
InChIKeyWJIWKSBFDRBMOG-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole (CID 64939348) is 2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole is CC1CNC2(CCCC2)CN1C(C)c1nccs1.
What is the InChIKey of 2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole?
The InChIKey is WJIWKSBFDRBMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11-9-16-14(5-3-4-6-14)10-17(11)12(2)13-15-7-8-18-13/h7-8,11-12,16H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole?
2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64939348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).