1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one

C16H23N3OS — CID 97494229

IUPAC1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
SMILESC=CCN1C(=O)CCC12CCC(NCc1nccs1)CC2
InChIInChI=1S/C16H23N3OS/c1-2-10-19-15(20)5-8-16(19)6-3-13(4-7-16)18-12-14-17-9-11-21-14/h2,9,11,13,18H,1,3-8,10,12H2
InChIKeyZIHYUXQLUVYQCW-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.72
Rot. Bonds5

About 1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one

1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one (PubChem CID 97494229) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
PubChem CID97494229
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
SMILESC=CCN1C(=O)CCC12CCC(NCc1nccs1)CC2
InChIInChI=1S/C16H23N3OS/c1-2-10-19-15(20)5-8-16(19)6-3-13(4-7-16)18-12-14-17-9-11-21-14/h2,9,11,13,18H,1,3-8,10,12H2
InChIKeyZIHYUXQLUVYQCW-UHFFFAOYSA-N
XLogP2.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397424
2-(cyclohexen-1-yl)-N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]acetamide
CID 128970728
1-Prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155841613
N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-2-carboxamide
CID 53361860
8-(1,3-Thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397394
(5S,10R)-10-ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 125252605
N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide
CID 67108429
N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,3-thiazole-2-carboxamide
CID 67555803
N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide
CID 77279636
(5R)-5-[(cyclohexylmethylamino)methyl]-1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pyrrolidin-2-one
CID 141078152
1-amino-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide
CID 61283298
4-amino-N-(1,3-thiazol-2-ylmethyl)cyclohexane-1-carboxamide
CID 61284657

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one (CID 97494229) is 1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one is C=CCN1C(=O)CCC12CCC(NCc1nccs1)CC2.
What is the InChIKey of 1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The InChIKey is ZIHYUXQLUVYQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-10-19-15(20)5-8-16(19)6-3-13(4-7-16)18-12-14-17-9-11-21-14/h2,9,11,13,18H,1,3-8,10,12H2.
What are the key properties of 1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one has a molecular weight of 305.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 97494229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).