[(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C24H30N2O4S — CID 110142744

IUPAC[(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4scnc4C)CC3)CO[C@H]21
InChIInChI=1S/C24H30N2O4S/c1-15-21(31-14-25-15)22(27)26-10-8-24(9-11-26)12-17-19(29-13-24)16-6-5-7-18(28-4)20(16)30-23(17,2)3/h5-7,14,17,19H,8-13H2,1-4H3/t17-,19+/m0/s1
InChIKeyYQYSVQVTROXVLK-PKOBYXMFSA-N
MW442.58 g/mol
LogP4.63
Rot. Bonds2

About [(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 110142744) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is [(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID110142744
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Name[(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4scnc4C)CC3)CO[C@H]21
InChIInChI=1S/C24H30N2O4S/c1-15-21(31-14-25-15)22(27)26-10-8-24(9-11-26)12-17-19(29-13-24)16-6-5-7-18(28-4)20(16)30-23(17,2)3/h5-7,14,17,19H,8-13H2,1-4H3/t17-,19+/m0/s1
InChIKeyYQYSVQVTROXVLK-PKOBYXMFSA-N
XLogP4.63
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 110142744) is [(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4scnc4C)CC3)CO[C@H]21.
What is the InChIKey of [(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is YQYSVQVTROXVLK-PKOBYXMFSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-15-21(31-14-25-15)22(27)26-10-8-24(9-11-26)12-17-19(29-13-24)16-6-5-7-18(28-4)20(16)30-23(17,2)3/h5-7,14,17,19H,8-13H2,1-4H3/t17-,19+/m0/s1.
What are the key properties of [(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 442.58 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110142744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).