[(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium

C8H11N3O2SWY-2 — CID 58176091

IUPAC[(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium
SMILES[NH-]C(=O)C1CSC2CC[C@H]([NH-])C(=O)N21.[W].[Y]
InChIInChI=1S/C8H12N3O2S.W.Y/c9-4-1-2-6-11(8(4)13)5(3-14-6)7(10)12;;/h4-6,9H,1-3H2,(H2,10,12);;/q-1;;/p-1/t4-,5?,6?;;/m0../s1
InChIKeyHENMBAMLKJRNFL-DWZDZCSXSA-M
MW486.01 g/mol
LogP1.04
Rot. Bonds1

About [(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium

[(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium (PubChem CID 58176091) has the molecular formula C8H11N3O2SWY-2 and a molecular weight of 486.01 g/mol. Its IUPAC name is [(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium.

Molecular Properties

Compound Name[(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium
PubChem CID58176091
Molecular FormulaC8H11N3O2SWY-2
Molecular Weight486.01 g/mol
Exact Mass485.92
IUPAC Name[(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium
SMILES[NH-]C(=O)C1CSC2CC[C@H]([NH-])C(=O)N21.[W].[Y]
InChIInChI=1S/C8H12N3O2S.W.Y/c9-4-1-2-6-11(8(4)13)5(3-14-6)7(10)12;;/h4-6,9H,1-3H2,(H2,10,12);;/q-1;;/p-1/t4-,5?,6?;;/m0../s1
InChIKeyHENMBAMLKJRNFL-DWZDZCSXSA-M
XLogP1.04
TPSA84.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.01
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium with MolForge

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Related Compounds

(3R,8aR)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 5325718
Cyclo(-Met-Pro)
CID 6502027
Cyclo-Met-Pro-diketopiperazine
CID 6428989
(3S,6R,8aR)-5-oxo-6-(pyrrolidine-2-carbonylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 44315838
(3R,6S)-6-amino-5-oxohexahydro-2H-thiazolo[3,2-a]pyridine-3-carbonitrile
CID 45270821
(3R,6R)-6-amino-5-oxohexahydro-2H-thiazolo[3,2-a]pyridine-3-carbonitrile
CID 45271662
Cyclo(L-Pro-L-OMet)
CID 102224092
(3s,6s,9r)-2-Oxo-3-amino-7-thia-1-aza-bicyclo [4,3,0]nonane-9-carboxylic
CID 57076077
6-Amino-5-oxohexahydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
CID 53438783
(3S,9S)-5-thia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 44576120
(3R,6S,8aS)-6-(methylamino)-3-(trifluoromethyl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 143168361
(3R,8aS)-3-(tert-butylsulfanylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 58843274

Frequently Asked Questions

What is the IUPAC name of [(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium?
The IUPAC name of [(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium (CID 58176091) is [(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium.
What is the SMILES notation for [(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium?
The canonical SMILES for [(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium is [NH-]C(=O)C1CSC2CC[C@H]([NH-])C(=O)N21.[W].[Y].
What is the InChIKey of [(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium?
The InChIKey is HENMBAMLKJRNFL-DWZDZCSXSA-M. The full InChI is InChI=1S/C8H12N3O2S.W.Y/c9-4-1-2-6-11(8(4)13)5(3-14-6)7(10)12;;/h4-6,9H,1-3H2,(H2,10,12);;/q-1;;/p-1/t4-,5?,6?;;/m0../s1.
What are the key properties of [(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium?
[(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium has a molecular weight of 486.01 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-3-azanidylcarbonyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]azanide;tungsten;yttrium is sourced from PubChem (CID 58176091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).