5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole

C16H25N3S — CID 115979600

IUPAC5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole
SMILESCC1(C2CC2)CN(Cc2cncs2)C2(CCCC2)CN1
InChIInChI=1S/C16H25N3S/c1-15(13-4-5-13)11-19(9-14-8-17-12-20-14)16(10-18-15)6-2-3-7-16/h8,12-13,18H,2-7,9-11H2,1H3
InChIKeyWLCFNXKELXPYRF-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.03
Rot. Bonds3

About 5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole

5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole (PubChem CID 115979600) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole
PubChem CID115979600
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole
SMILESCC1(C2CC2)CN(Cc2cncs2)C2(CCCC2)CN1
InChIInChI=1S/C16H25N3S/c1-15(13-4-5-13)11-19(9-14-8-17-12-20-14)16(10-18-15)6-2-3-7-16/h8,12-13,18H,2-7,9-11H2,1H3
InChIKeyWLCFNXKELXPYRF-UHFFFAOYSA-N
XLogP3.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole (CID 115979600) is 5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole is CC1(C2CC2)CN(Cc2cncs2)C2(CCCC2)CN1.
What is the InChIKey of 5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole?
The InChIKey is WLCFNXKELXPYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-15(13-4-5-13)11-19(9-14-8-17-12-20-14)16(10-18-15)6-2-3-7-16/h8,12-13,18H,2-7,9-11H2,1H3.
What are the key properties of 5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole?
5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole has a molecular weight of 291.46 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-cyclopropyl-8-methyl-6,9-diazaspiro[4.5]decan-6-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 115979600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).