(4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H16N4O4S — CID 79094066

IUPAC(4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H16N4O4S/c16-9(17)8-5-20-6-15(8)11(19)13-1-2-14-7(4-13)3-12-10(14)18/h7-8H,1-6H2,(H,12,18)(H,16,17)/t7?,8-/m0/s1
InChIKeyTWXYFXACSFBFFR-MQWKRIRWSA-N
MW300.34 g/mol
LogP-0.72
Rot. Bonds1

About (4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 79094066) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is (4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID79094066
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name(4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H16N4O4S/c16-9(17)8-5-20-6-15(8)11(19)13-1-2-14-7(4-13)3-12-10(14)18/h7-8H,1-6H2,(H,12,18)(H,16,17)/t7?,8-/m0/s1
InChIKeyTWXYFXACSFBFFR-MQWKRIRWSA-N
XLogP-0.72
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

(4R)-3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 79943995
(4R)-3-(4-cyclopropylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61442801
3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63605096
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
(4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61190888
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
CID 79094683
3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61184439
(4R)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61185674
7-[(2S)-pyrrolidine-2-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091903
5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
CID 79092252
(4R)-3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61443039
4-amino-5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
CID 79091984

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 79094066) is (4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of (4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is TWXYFXACSFBFFR-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H16N4O4S/c16-9(17)8-5-20-6-15(8)11(19)13-1-2-14-7(4-13)3-12-10(14)18/h7-8H,1-6H2,(H,12,18)(H,16,17)/t7?,8-/m0/s1.
What are the key properties of (4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 79094066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).