7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C19H18ClN5O2S — CID 166229916

IUPAC7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCN1C(=O)C2CN(Cc3c(-c4ccc(Cl)cc4)nc4sccn34)CCN2C1=O
InChIInChI=1S/C19H18ClN5O2S/c1-22-17(26)15-11-23(6-7-25(15)19(22)27)10-14-16(12-2-4-13(20)5-3-12)21-18-24(14)8-9-28-18/h2-5,8-9,15H,6-7,10-11H2,1H3
InChIKeyRRWCLIVSIJEJES-UHFFFAOYSA-N
MW415.91 g/mol
LogP2.79
Rot. Bonds3

About 7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 166229916) has the molecular formula C19H18ClN5O2S and a molecular weight of 415.91 g/mol. Its IUPAC name is 7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID166229916
Molecular FormulaC19H18ClN5O2S
Molecular Weight415.91 g/mol
Exact Mass415.09
IUPAC Name7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCN1C(=O)C2CN(Cc3c(-c4ccc(Cl)cc4)nc4sccn34)CCN2C1=O
InChIInChI=1S/C19H18ClN5O2S/c1-22-17(26)15-11-23(6-7-25(15)19(22)27)10-14-16(12-2-4-13(20)5-3-12)21-18-24(14)8-9-28-18/h2-5,8-9,15H,6-7,10-11H2,1H3
InChIKeyRRWCLIVSIJEJES-UHFFFAOYSA-N
XLogP2.79
TPSA61.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.91
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 166229916) is 7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is CN1C(=O)C2CN(Cc3c(-c4ccc(Cl)cc4)nc4sccn34)CCN2C1=O.
What is the InChIKey of 7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is RRWCLIVSIJEJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2S/c1-22-17(26)15-11-23(6-7-25(15)19(22)27)10-14-16(12-2-4-13(20)5-3-12)21-18-24(14)8-9-28-18/h2-5,8-9,15H,6-7,10-11H2,1H3.
What are the key properties of 7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 415.91 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 166229916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).