9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H29N3O2S — CID 70739389

IUPAC9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1nc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)cs1
InChIInChI=1S/C18H29N3O2S/c1-2-16-19-15(13-24-16)12-20-9-6-18(7-10-20)5-4-17(23)21(14-18)8-3-11-22/h13,22H,2-12,14H2,1H3
InChIKeyLFPHQGBKJBPZRW-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.29
Rot. Bonds6

About 9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70739389) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70739389
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1nc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)cs1
InChIInChI=1S/C18H29N3O2S/c1-2-16-19-15(13-24-16)12-20-9-6-18(7-10-20)5-4-17(23)21(14-18)8-3-11-22/h13,22H,2-12,14H2,1H3
InChIKeyLFPHQGBKJBPZRW-UHFFFAOYSA-N
XLogP2.29
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51092653
2-(3-Hydroxypropyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756512
2-Ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70767551
2-(trans-4-Hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70775312
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70776926
3-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 72108863
1-[(6R)-8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-methylsulfanylethanone
CID 168452693
[9-[3-(4-Hydroxybutylsulfanyl)propyl]-2,9-diazaspiro[5.5]undecan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 70665522
[1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 45806054
Morpholin-4-yl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 45807053
1-(2,2-dimethylpropanoyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 48009384
1-[(2-Cyclopentyl-1,3-thiazol-4-yl)methyl]-3-(piperidine-1-carbonyl)piperidine
CID 49522514

Frequently Asked Questions

What is the IUPAC name of 9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70739389) is 9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is CCc1nc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)cs1.
What is the InChIKey of 9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LFPHQGBKJBPZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-2-16-19-15(13-24-16)12-20-9-6-18(7-10-20)5-4-17(23)21(14-18)8-3-11-22/h13,22H,2-12,14H2,1H3.
What are the key properties of 9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 351.52 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70739389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).