7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H29N3O2S — CID 45217500

IUPAC7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cscn1)N1CCC2(CCCN(CCC3CCCCC3)C2=O)C1
InChIInChI=1S/C20H29N3O2S/c24-18(17-13-26-15-21-17)23-12-9-20(14-23)8-4-10-22(19(20)25)11-7-16-5-2-1-3-6-16/h13,15-16H,1-12,14H2
InChIKeyUYFWGONGBGHRMG-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.57
Rot. Bonds4

About 7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45217500) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45217500
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cscn1)N1CCC2(CCCN(CCC3CCCCC3)C2=O)C1
InChIInChI=1S/C20H29N3O2S/c24-18(17-13-26-15-21-17)23-12-9-20(14-23)8-4-10-22(19(20)25)11-7-16-5-2-1-3-6-16/h13,15-16H,1-12,14H2
InChIKeyUYFWGONGBGHRMG-UHFFFAOYSA-N
XLogP3.57
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

2-(3-Methylbutyl)-8-(1,3-thiazol-4-ylcarbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70705315
2,9-Diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone
CID 128924626
(5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26315216
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide
CID 164635642
N-ethyl-1-(1,3-thiazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71998430
(3R)-N-ethyl-1-(1,3-thiazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97574238
(3S)-N-ethyl-1-(1,3-thiazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97574239
[9-(1-Fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131688900
[9-(1-Fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131688902
(3-Fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131689425
7-(2,2-Dimethylpropyl)-2-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45182843
7-(Cyclobutylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45189523

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45217500) is 7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1cscn1)N1CCC2(CCCN(CCC3CCCCC3)C2=O)C1.
What is the InChIKey of 7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UYFWGONGBGHRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c24-18(17-13-26-15-21-17)23-12-9-20(14-23)8-4-10-22(19(20)25)11-7-16-5-2-1-3-6-16/h13,15-16H,1-12,14H2.
What are the key properties of 7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 375.54 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45217500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).