(7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione

C17H19ClN2O2S — CID 67924913

IUPAC(7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione
SMILESO=C1[C@@H]2CSC3(CCCCC3)N2C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2S/c18-13-6-4-12(5-7-13)10-19-15(21)14-11-23-17(20(14)16(19)22)8-2-1-3-9-17/h4-7,14H,1-3,8-11H2/t14-/m0/s1
InChIKeyHXYZSYPVJWCYCY-AWEZNQCLSA-N
MW350.87 g/mol
LogP3.88
Rot. Bonds2

About (7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione

(7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione (PubChem CID 67924913) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is (7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione.

Molecular Properties

Compound Name(7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione
PubChem CID67924913
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name(7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione
SMILESO=C1[C@@H]2CSC3(CCCCC3)N2C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2S/c18-13-6-4-12(5-7-13)10-19-15(21)14-11-23-17(20(14)16(19)22)8-2-1-3-9-17/h4-7,14H,1-3,8-11H2/t14-/m0/s1
InChIKeyHXYZSYPVJWCYCY-AWEZNQCLSA-N
XLogP3.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione?
The IUPAC name of (7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione (CID 67924913) is (7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione.
What is the SMILES notation for (7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione?
The canonical SMILES for (7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione is O=C1[C@@H]2CSC3(CCCCC3)N2C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione?
The InChIKey is HXYZSYPVJWCYCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c18-13-6-4-12(5-7-13)10-19-15(21)14-11-23-17(20(14)16(19)22)8-2-1-3-9-17/h4-7,14H,1-3,8-11H2/t14-/m0/s1.
What are the key properties of (7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione?
(7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione has a molecular weight of 350.87 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione is sourced from PubChem (CID 67924913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).