propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate

C32H41NO5SSi — CID 140766195

IUPACpropan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate
SMILESCC(C)OC(=O)c1csc([C@H]2CC[C@@H]3[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](O)C[C@@H]3O2)n1
InChIInChI=1S/C32H41NO5SSi/c1-21(2)37-31(35)26-20-39-30(33-26)28-17-16-24-25(27(34)18-29(24)38-28)19-36-40(32(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,24-25,27-29,34H,16-19H2,1-5H3/t24-,25-,27-,28-,29+/m1/s1
InChIKeyXEPVZWXVECXAOJ-KFRZBYBZSA-N
MW579.84 g/mol
LogP5.50
Rot. Bonds8

About propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate

propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 140766195) has the molecular formula C32H41NO5SSi and a molecular weight of 579.84 g/mol. Its IUPAC name is propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate
PubChem CID140766195
Molecular FormulaC32H41NO5SSi
Molecular Weight579.84 g/mol
Exact Mass579.25
IUPAC Namepropan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate
SMILESCC(C)OC(=O)c1csc([C@H]2CC[C@@H]3[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](O)C[C@@H]3O2)n1
InChIInChI=1S/C32H41NO5SSi/c1-21(2)37-31(35)26-20-39-30(33-26)28-17-16-24-25(27(34)18-29(24)38-28)19-36-40(32(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,24-25,27-29,34H,16-19H2,1-5H3/t24-,25-,27-,28-,29+/m1/s1
InChIKeyXEPVZWXVECXAOJ-KFRZBYBZSA-N
XLogP5.50
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.84
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2R,4aR,5S,6S,7aS)-6-hydroxy-5-[[4-(methoxymethyl)-3-methylphenoxy]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylic acid
CID 140766117
(3aS,4S,5S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10573641
2-[(2R,4aR,5S,6S,7aS)-6-hydroxy-5-(spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclopropane]-2-yloxymethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylic acid
CID 140766156
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl] benzoate
CID 171122774
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
(2R,4aR,5S,6S,7aS)-5-[(4-chloro-3-methylphenoxy)methyl]-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-6-ol
CID 140766221
propan-2-yl 7-[(2S,3S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl]heptanoate
CID 15382134
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
(2R,4aR,5S,6S,7aS)-5-[(3-cyclopropyl-4-methylphenoxy)methyl]-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-6-ol
CID 140766119
1-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxythiolan-1-ium-1-yl]ethanone
CID 172826315

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate (CID 140766195) is propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate is CC(C)OC(=O)c1csc([C@H]2CC[C@@H]3[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](O)C[C@@H]3O2)n1.
What is the InChIKey of propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is XEPVZWXVECXAOJ-KFRZBYBZSA-N. The full InChI is InChI=1S/C32H41NO5SSi/c1-21(2)37-31(35)26-20-39-30(33-26)28-17-16-24-25(27(34)18-29(24)38-28)19-36-40(32(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,24-25,27-29,34H,16-19H2,1-5H3/t24-,25-,27-,28-,29+/m1/s1.
What are the key properties of propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate?
propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 579.84 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2R,4aR,5S,6R,7aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 140766195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).