2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole

C16H27N3S — CID 64948217

IUPAC2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCC1CNC2(CCCCC2)CN1Cc1nc(C)cs1
InChIInChI=1S/C16H27N3S/c1-3-14-9-17-16(7-5-4-6-8-16)12-19(14)10-15-18-13(2)11-20-15/h11,14,17H,3-10,12H2,1-2H3
InChIKeyWNWYVWYIJQYYHR-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.34
Rot. Bonds3

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

2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 64948217) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID64948217
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCC1CNC2(CCCCC2)CN1Cc1nc(C)cs1
InChIInChI=1S/C16H27N3S/c1-3-14-9-17-16(7-5-4-6-8-16)12-19(14)10-15-18-13(2)11-20-15/h11,14,17H,3-10,12H2,1-2H3
InChIKeyWNWYVWYIJQYYHR-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole (CID 64948217) is 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole is CCC1CNC2(CCCCC2)CN1Cc1nc(C)cs1.
What is the InChIKey of 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is WNWYVWYIJQYYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-3-14-9-17-16(7-5-4-6-8-16)12-19(14)10-15-18-13(2)11-20-15/h11,14,17H,3-10,12H2,1-2H3.
What are the key properties of 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole?
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 293.48 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 64948217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).