tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate

C25H46N2O4SSi — CID 158168476

IUPACtert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate
SMILESCC(C)c1sc(C(=O)C[C@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H46N2O4SSi/c1-16(2)19(27(11)23(29)31-24(5,6)7)14-20(28)22-26-18(21(32-22)17(3)4)15-30-33(12,13)25(8,9)10/h16-17,19H,14-15H2,1-13H3/t19-/m1/s1
InChIKeyFXDJQWGTRBBZJH-LJQANCHMSA-N
MW498.81 g/mol
LogP7.25
Rot. Bonds9

About tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate

tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate (PubChem CID 158168476) has the molecular formula C25H46N2O4SSi and a molecular weight of 498.81 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate
PubChem CID158168476
Molecular FormulaC25H46N2O4SSi
Molecular Weight498.81 g/mol
Exact Mass498.29
IUPAC Nametert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate
SMILESCC(C)c1sc(C(=O)C[C@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H46N2O4SSi/c1-16(2)19(27(11)23(29)31-24(5,6)7)14-20(28)22-26-18(21(32-22)17(3)4)15-30-33(12,13)25(8,9)10/h16-17,19H,14-15H2,1-13H3/t19-/m1/s1
InChIKeyFXDJQWGTRBBZJH-LJQANCHMSA-N
XLogP7.25
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.81
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate with MolForge

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Related Compounds

[2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate
CID 122521560
tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate
CID 143961871
tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-N-methylcarbamate
CID 142601614
tert-butyl N-[(1R,3R)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-hydroxy-4-methylpentan-3-yl]-N-methylcarbamate
CID 158913107
tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate
CID 145146307
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 59656752
ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate
CID 163219344
tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate
CID 59271881
methyl 5-methyl-2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-oxazole-4-carboxylate
CID 138970121
tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate
CID 23150978
3-[tert-butyl(dimethyl)silyl]oxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoic acid
CID 90700845
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate (CID 158168476) is tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate is CC(C)c1sc(C(=O)C[C@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate?
The InChIKey is FXDJQWGTRBBZJH-LJQANCHMSA-N. The full InChI is InChI=1S/C25H46N2O4SSi/c1-16(2)19(27(11)23(29)31-24(5,6)7)14-20(28)22-26-18(21(32-22)17(3)4)15-30-33(12,13)25(8,9)10/h16-17,19H,14-15H2,1-13H3/t19-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate?
tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate has a molecular weight of 498.81 g/mol, XLogP of 7.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-4-methyl-1-oxopentan-3-yl]-N-methylcarbamate is sourced from PubChem (CID 158168476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).