8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one

C25H28N4OS — CID 130201133

IUPAC8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1csc(-c3ccccc3)n1)C(=O)N2
InChIInChI=1S/C25H28N4OS/c1-28(2)25(20-11-7-4-8-12-20)15-13-24(14-16-25)18-29(23(30)27-24)21-17-31-22(26-21)19-9-5-3-6-10-19/h3-12,17H,13-16,18H2,1-2H3,(H,27,30)
InChIKeyAAJCJBPFZHQLGU-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.11
Rot. Bonds4

About 8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201133) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201133
Molecular FormulaC25H28N4OS
Molecular Weight432.59 g/mol
Exact Mass432.20
IUPAC Name8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1csc(-c3ccccc3)n1)C(=O)N2
InChIInChI=1S/C25H28N4OS/c1-28(2)25(20-11-7-4-8-12-20)15-13-24(14-16-25)18-29(23(30)27-24)21-17-31-22(26-21)19-9-5-3-6-10-19/h3-12,17H,13-16,18H2,1-2H3,(H,27,30)
InChIKeyAAJCJBPFZHQLGU-UHFFFAOYSA-N
XLogP5.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one (CID 130201133) is 8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1csc(-c3ccccc3)n1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is AAJCJBPFZHQLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4OS/c1-28(2)25(20-11-7-4-8-12-20)15-13-24(14-16-25)18-29(23(30)27-24)21-17-31-22(26-21)19-9-5-3-6-10-19/h3-12,17H,13-16,18H2,1-2H3,(H,27,30).
What are the key properties of 8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 432.59 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).