5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole

C14H23N3S — CID 113487011

IUPAC5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole
SMILESCC(c1cncs1)N1CCNCC12CCCCC2
InChIInChI=1S/C14H23N3S/c1-12(13-9-16-11-18-13)17-8-7-15-10-14(17)5-3-2-4-6-14/h9,11-12,15H,2-8,10H2,1H3
InChIKeyNAVHSYPRUANDCJ-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.81
Rot. Bonds2

About 5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole

5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole (PubChem CID 113487011) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole
PubChem CID113487011
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole
SMILESCC(c1cncs1)N1CCNCC12CCCCC2
InChIInChI=1S/C14H23N3S/c1-12(13-9-16-11-18-13)17-8-7-15-10-14(17)5-3-2-4-6-14/h9,11-12,15H,2-8,10H2,1H3
InChIKeyNAVHSYPRUANDCJ-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 5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole (CID 113487011) is 5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole is CC(c1cncs1)N1CCNCC12CCCCC2.
What is the InChIKey of 5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole?
The InChIKey is NAVHSYPRUANDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-12(13-9-16-11-18-13)17-8-7-15-10-14(17)5-3-2-4-6-14/h9,11-12,15H,2-8,10H2,1H3.
What are the key properties of 5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole?
5-[1-(1,4-diazaspiro[5.5]undecan-1-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 5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 113487011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).