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

C13H19N3OS — CID 97397394

IUPAC8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCC(NCc3nccs3)CC2)N1
InChIInChI=1S/C13H19N3OS/c17-11-3-6-13(16-11)4-1-10(2-5-13)15-9-12-14-7-8-18-12/h7-8,10,15H,1-6,9H2,(H,16,17)
InChIKeyMORGEEQUPPGUSY-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.82
Rot. Bonds3

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

8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one (PubChem CID 97397394) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
PubChem CID97397394
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCC(NCc3nccs3)CC2)N1
InChIInChI=1S/C13H19N3OS/c17-11-3-6-13(16-11)4-1-10(2-5-13)15-9-12-14-7-8-18-12/h7-8,10,15H,1-6,9H2,(H,16,17)
InChIKeyMORGEEQUPPGUSY-UHFFFAOYSA-N
XLogP1.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 10245529
(2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 70685028
(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 70687196
(5S,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375552
1-(2-Methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397424
1-Ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 118745116
1-Methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 118745118
1-Ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 118745442
2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630331
N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxamide
CID 126830802
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

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one (CID 97397394) is 8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one is O=C1CCC2(CCC(NCc3nccs3)CC2)N1.
What is the InChIKey of 8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The InChIKey is MORGEEQUPPGUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-11-3-6-13(16-11)4-1-10(2-5-13)15-9-12-14-7-8-18-12/h7-8,10,15H,1-6,9H2,(H,16,17).
What are the key properties of 8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one has a molecular weight of 265.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 97397394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).