8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

C18H27N3O3S — CID 72927770

IUPAC8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(C(=O)c3sc(C)nc3C)CC2)CC1=O
InChIInChI=1S/C18H27N3O3S/c1-13-16(25-14(2)19-13)17(23)20-8-5-18(6-9-20)11-15(22)21(12-18)7-4-10-24-3/h4-12H2,1-3H3
InChIKeySERQFWZXEPPSOH-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.25
Rot. Bonds5

About 8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72927770) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72927770
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(C(=O)c3sc(C)nc3C)CC2)CC1=O
InChIInChI=1S/C18H27N3O3S/c1-13-16(25-14(2)19-13)17(23)20-8-5-18(6-9-20)11-15(22)21(12-18)7-4-10-24-3/h4-12H2,1-3H3
InChIKeySERQFWZXEPPSOH-UHFFFAOYSA-N
XLogP2.25
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(5,6-dimethylpyrimidine-4-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686555
2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72851928
2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896118
N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 72839362
2-(3-methoxypropyl)-8-[2-methyl-3-(1,2,4-triazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72904278
9-(3-hydroxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905387
9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72866706
8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686885
2-(3-methoxypropyl)-9-[2-(4-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72904809
[4-(2-bromoethyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033487
9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72922064
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657276

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72927770) is 8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(C(=O)c3sc(C)nc3C)CC2)CC1=O.
What is the InChIKey of 8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SERQFWZXEPPSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-13-16(25-14(2)19-13)17(23)20-8-5-18(6-9-20)11-15(22)21(12-18)7-4-10-24-3/h4-12H2,1-3H3.
What are the key properties of 8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 365.50 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72927770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).