2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine

C24H28N6O3S — CID 58424826

IUPAC2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
SMILESCN1OC2(CC(C3CCOC(C)(C)C3)Oc3ccc(-c4csc(-n5ccnc5)n4)cc32)N=C1N
InChIInChI=1S/C24H28N6O3S/c1-23(2)11-16(6-9-31-23)20-12-24(28-21(25)29(3)33-24)17-10-15(4-5-19(17)32-20)18-13-34-22(27-18)30-8-7-26-14-30/h4-5,7-8,10,13-14,16,20H,6,9,11-12H2,1-3H3,(H2,25,28)
InChIKeyHMEQKJAVGBOPJL-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.70
Rot. Bonds3

About 2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine

2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine (PubChem CID 58424826) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine.

Molecular Properties

Compound Name2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
PubChem CID58424826
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
SMILESCN1OC2(CC(C3CCOC(C)(C)C3)Oc3ccc(-c4csc(-n5ccnc5)n4)cc32)N=C1N
InChIInChI=1S/C24H28N6O3S/c1-23(2)11-16(6-9-31-23)20-12-24(28-21(25)29(3)33-24)17-10-15(4-5-19(17)32-20)18-13-34-22(27-18)30-8-7-26-14-30/h4-5,7-8,10,13-14,16,20H,6,9,11-12H2,1-3H3,(H2,25,28)
InChIKeyHMEQKJAVGBOPJL-UHFFFAOYSA-N
XLogP3.70
TPSA100.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine with MolForge

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Related Compounds

2'-(2,2-dimethyloxan-4-yl)-2-methyl-6'-(6-methyl-2-pyridinyl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
CID 91533809
5-[3-amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzene-1,3-dicarbonitrile
CID 58423918
2'-amino-2-(2,2-dimethyloxan-4-yl)-6-(2-imidazol-1-yl-1,3-thiazol-5-yl)-3'-methylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 58424374
(2'R)-6'-(3-chloro-5-fluorophenyl)-2'-[(4R)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
CID 58423883
3-[(2'R,5S)-3-amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzonitrile
CID 58424713
3-[3-amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-5-fluorobenzonitrile
CID 58423915
6'-bromo-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;6'-(6-chloro-2-pyridinyl)-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 159783200
2'-amino-2-(2,2-dimethyloxan-4-yl)-6-[3-fluoro-5-(trifluoromethyl)phenyl]-3'-methylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 58424446
3-[3-amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-4-(trifluoromethyl)benzonitrile;6'-bromo-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-diene-1-carbonitrile
CID 158734481
3-[2'-amino-2-(2,2-dimethyloxan-4-yl)-1'-methyl-5'-oxospiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-5-chlorobenzonitrile
CID 58424038
CID 162224687
CID 162224687
3-[(2'S,5R)-3-amino-2'-(3,4-dihydro-2H-chromen-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzonitrile
CID 58424834

Frequently Asked Questions

What is the IUPAC name of 2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine?
The IUPAC name of 2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine (CID 58424826) is 2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine.
What is the SMILES notation for 2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine?
The canonical SMILES for 2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine is CN1OC2(CC(C3CCOC(C)(C)C3)Oc3ccc(-c4csc(-n5ccnc5)n4)cc32)N=C1N.
What is the InChIKey of 2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine?
The InChIKey is HMEQKJAVGBOPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-23(2)11-16(6-9-31-23)20-12-24(28-21(25)29(3)33-24)17-10-15(4-5-19(17)32-20)18-13-34-22(27-18)30-8-7-26-14-30/h4-5,7-8,10,13-14,16,20H,6,9,11-12H2,1-3H3,(H2,25,28).
What are the key properties of 2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine?
2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine has a molecular weight of 480.59 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2,2-dimethyloxan-4-yl)-6'-(2-imidazol-1-yl-1,3-thiazol-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine is sourced from PubChem (CID 58424826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).