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

C14H19N3O3S — CID 71925044

IUPAC2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCOC(C)c1nc(CN2C(=O)C3CCCCN3C2=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
InChIKeyOQJTUBSHNAAESH-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.17
Rot. Bonds4

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

2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 71925044) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[[2-(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 Name2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID71925044
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCOC(C)c1nc(CN2C(=O)C3CCCCN3C2=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
InChIKeyOQJTUBSHNAAESH-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(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 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 71925044) is 2-[[2-(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 2-[[2-(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 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is COC(C)c1nc(CN2C(=O)C3CCCCN3C2=O)cs1.
What is the InChIKey of 2-[[2-(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-UHFFFAOYSA-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.
What are the key properties of 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[[2-(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 2-[[2-(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 71925044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).