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

C16H27N3S — CID 64940035

IUPAC5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCC1CNC2(CCCCC2)CN1Cc1scnc1C
InChIInChI=1S/C16H27N3S/c1-3-14-9-18-16(7-5-4-6-8-16)11-19(14)10-15-13(2)17-12-20-15/h12,14,18H,3-11H2,1-2H3
InChIKeyMKZRUQPTINTEKX-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.34
Rot. Bonds3

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

5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 64940035) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID64940035
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCC1CNC2(CCCCC2)CN1Cc1scnc1C
InChIInChI=1S/C16H27N3S/c1-3-14-9-18-16(7-5-4-6-8-16)11-19(14)10-15-13(2)17-12-20-15/h12,14,18H,3-11H2,1-2H3
InChIKeyMKZRUQPTINTEKX-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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Related Compounds

2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
CID 64948217
8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64946171
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole
CID 106376763
5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole
CID 64950198
8-ethyl-9-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64875635
5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64940036
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64877165
9-[(2-chlorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64875826
3-propyl-4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64878189
9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 104812527
5-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-4-methyl-1,3-thiazole
CID 66210037

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole (CID 64940035) is 5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole is CCC1CNC2(CCCCC2)CN1Cc1scnc1C.
What is the InChIKey of 5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is MKZRUQPTINTEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-3-14-9-18-16(7-5-4-6-8-16)11-19(14)10-15-13(2)17-12-20-15/h12,14,18H,3-11H2,1-2H3.
What are the key properties of 5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole?
5-[(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 5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 64940035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).