4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one

C25H25N3O2S — CID 170716112

IUPAC4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one
SMILESCCCN1CCN(C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)s2)C2(CC2)C1=O
InChIInChI=1S/C25H25N3O2S/c1-2-15-27-16-17-28(25(13-14-25)24(27)30)23(29)22-26-20(18-9-5-3-6-10-18)21(31-22)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3
InChIKeyJBVBSDAUNRJYNT-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.70
Rot. Bonds5

About 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one

4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one (PubChem CID 170716112) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one
PubChem CID170716112
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one
SMILESCCCN1CCN(C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)s2)C2(CC2)C1=O
InChIInChI=1S/C25H25N3O2S/c1-2-15-27-16-17-28(25(13-14-25)24(27)30)23(29)22-26-20(18-9-5-3-6-10-18)21(31-22)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3
InChIKeyJBVBSDAUNRJYNT-UHFFFAOYSA-N
XLogP4.70
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one?
The IUPAC name of 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one (CID 170716112) is 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one.
What is the SMILES notation for 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one?
The canonical SMILES for 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one is CCCN1CCN(C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)s2)C2(CC2)C1=O.
What is the InChIKey of 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one?
The InChIKey is JBVBSDAUNRJYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-2-15-27-16-17-28(25(13-14-25)24(27)30)23(29)22-26-20(18-9-5-3-6-10-18)21(31-22)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3.
What are the key properties of 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one?
4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one has a molecular weight of 431.56 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-7-propyl-4,7-diazaspiro[2.5]octan-8-one is sourced from PubChem (CID 170716112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).