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

C12H16N2O2S — CID 800174

IUPAC(4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
SMILESNc1nc([C@@H]2CC(=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)/t8-/m0/s1
InChIKeyTYUHVGOUDDESRF-QMMMGPOBSA-N
MW252.34 g/mol
LogP2.46
Rot. Bonds1

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

(4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one (PubChem CID 800174) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
PubChem CID800174
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
SMILESNc1nc([C@@H]2CC(=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)/t8-/m0/s1
InChIKeyTYUHVGOUDDESRF-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one (CID 800174) is (4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one is Nc1nc([C@@H]2CC(=O)OC23CCCCC3)cs1.
What is the InChIKey of (4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one?
The InChIKey is TYUHVGOUDDESRF-QMMMGPOBSA-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)/t8-/m0/s1.
What are the key properties of (4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one?
(4S)-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 (4S)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 800174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).