(8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C14H19N3O3S — CID 97089492

IUPAC(8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCO[C@H](C)c1nc(CN2C(=O)[C@H]3CCCCN3C2=O)cs1
InChIInChI=1S/C14H19N3O3S/c1-9(20-2)12-15-10(8-21-12)7-17-13(18)11-5-3-4-6-16(11)14(17)19/h8-9,11H,3-7H2,1-2H3/t9-,11-/m1/s1
InChIKeyOQJTUBSHNAAESH-MWLCHTKSSA-N
MW309.39 g/mol
LogP2.17
Rot. Bonds4

About (8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

(8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 97089492) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is (8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name(8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID97089492
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name(8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCO[C@H](C)c1nc(CN2C(=O)[C@H]3CCCCN3C2=O)cs1
InChIInChI=1S/C14H19N3O3S/c1-9(20-2)12-15-10(8-21-12)7-17-13(18)11-5-3-4-6-16(11)14(17)19/h8-9,11H,3-7H2,1-2H3/t9-,11-/m1/s1
InChIKeyOQJTUBSHNAAESH-MWLCHTKSSA-N
XLogP2.17
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione with MolForge

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Related Compounds

(7aR)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 129367202
(3aR)-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,1-dioxo-3a,4,5,6-tetrahydropyrrolo[1,2-b][1,2,5]thiadiazol-3-one
CID 166267031
[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 111612856
2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
CID 95789668
3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932817
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
4-[[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-2-[(1R)-1-methoxyethyl]-1,3-thiazole
CID 97220170
(8aR)-2-(1H-pyrazol-5-ylmethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 99781573
(8aR)-2-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 100676557
1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120853138
2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 75422761
2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929583

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of (8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 97089492) is (8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for (8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for (8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is CO[C@H](C)c1nc(CN2C(=O)[C@H]3CCCCN3C2=O)cs1.
What is the InChIKey of (8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is OQJTUBSHNAAESH-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9(20-2)12-15-10(8-21-12)7-17-13(18)11-5-3-4-6-16(11)14(17)19/h8-9,11H,3-7H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
(8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 309.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 97089492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).