methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate

C24H29N3O6S — CID 71687356

IUPACmethyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOCCON1C(=O)CC(C(=O)OC)C12CCN(C(=O)Cc1csc(-c3ccccc3)n1)CC2
InChIInChI=1S/C24H29N3O6S/c1-31-12-13-33-27-21(29)15-19(23(30)32-2)24(27)8-10-26(11-9-24)20(28)14-18-16-34-22(25-18)17-6-4-3-5-7-17/h3-7,16,19H,8-15H2,1-2H3
InChIKeyBUPCVQDOULVLHQ-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.31
Rot. Bonds8

About methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 71687356) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID71687356
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Namemethyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOCCON1C(=O)CC(C(=O)OC)C12CCN(C(=O)Cc1csc(-c3ccccc3)n1)CC2
InChIInChI=1S/C24H29N3O6S/c1-31-12-13-33-27-21(29)15-19(23(30)32-2)24(27)8-10-26(11-9-24)20(28)14-18-16-34-22(25-18)17-6-4-3-5-7-17/h3-7,16,19H,8-15H2,1-2H3
InChIKeyBUPCVQDOULVLHQ-UHFFFAOYSA-N
XLogP2.31
TPSA98.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95715065
1-methoxy-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 56855930
methyl 1-methoxy-2-oxo-8-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 56852081
methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687335
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 78817443
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
(3R)-3-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 99815343
3-[(dimethylamino)methyl]-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172666497
methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687267
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 131934429

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 71687356) is methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate is COCCON1C(=O)CC(C(=O)OC)C12CCN(C(=O)Cc1csc(-c3ccccc3)n1)CC2.
What is the InChIKey of methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is BUPCVQDOULVLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-31-12-13-33-27-21(29)15-19(23(30)32-2)24(27)8-10-26(11-9-24)20(28)14-18-16-34-22(25-18)17-6-4-3-5-7-17/h3-7,16,19H,8-15H2,1-2H3.
What are the key properties of methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 487.58 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyethoxy)-2-oxo-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 71687356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).