4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one

C12H16N2O2S — CID 581119

IUPAC4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
SMILESNc1nc(C2CC(=O)OC23CCCCC3)cs1
InChIInChI=1S/C12H16N2O2S/c13-11-14-9(7-17-11)8-6-10(15)16-12(8)4-2-1-3-5-12/h7-8H,1-6H2,(H2,13,14)
InChIKeyTYUHVGOUDDESRF-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.46
Rot. Bonds1

About 4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one

4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one (PubChem CID 581119) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
PubChem CID581119
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
SMILESNc1nc(C2CC(=O)OC23CCCCC3)cs1
InChIInChI=1S/C12H16N2O2S/c13-11-14-9(7-17-11)8-6-10(15)16-12(8)4-2-1-3-5-12/h7-8H,1-6H2,(H2,13,14)
InChIKeyTYUHVGOUDDESRF-UHFFFAOYSA-N
XLogP2.46
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
CID 2836320
(4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
CID 800171
4-(2-Aminothiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one
CID 581120
Ethyl 2-(2-amino-4-thiazolyl)heptanoate
CID 587869
3-(2-Amino-1,3-thiazol-4-yl)-4-(oxan-2-yl)butanoic acid
CID 88508135
Tert-butyl 2-amino-5-(2-amino-1,3-thiazol-4-yl)-2-methylpentanoate
CID 88624094
Ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate
CID 141354069
4-[2-(2-Amino-1,3-thiazol-4-yl)ethyl]cyclohexane-1-carboxylic acid
CID 141836500
(4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
CID 746575
(4S)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
CID 746576
(4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
CID 800174
(4R,5S)-4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one
CID 909026

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one (CID 581119) is 4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one is Nc1nc(C2CC(=O)OC23CCCCC3)cs1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one?
The InChIKey is TYUHVGOUDDESRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c13-11-14-9(7-17-11)8-6-10(15)16-12(8)4-2-1-3-5-12/h7-8H,1-6H2,(H2,13,14).
What are the key properties of 4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one?
4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one has a molecular weight of 252.34 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 581119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).