methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate

C20H29N3O5S2 — CID 90665655

IUPACmethyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2csc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)n2)n1
InChIInChI=1S/C20H29N3O5S2/c1-11(27-19(2,3)4)14(23-18(25)28-20(5,6)7)16-21-12(9-30-16)15-22-13(10-29-15)17(24)26-8/h9-11,14H,1-8H3,(H,23,25)/t11-,14+/m1/s1
InChIKeyNOXYEKNMDXZTPP-RISCZKNCSA-N
MW455.60 g/mol
LogP4.82
Rot. Bonds6

About methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate

methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate (PubChem CID 90665655) has the molecular formula C20H29N3O5S2 and a molecular weight of 455.60 g/mol. Its IUPAC name is methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
PubChem CID90665655
Molecular FormulaC20H29N3O5S2
Molecular Weight455.60 g/mol
Exact Mass455.15
IUPAC Namemethyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2csc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)n2)n1
InChIInChI=1S/C20H29N3O5S2/c1-11(27-19(2,3)4)14(23-18(25)28-20(5,6)7)16-21-12(9-30-16)15-22-13(10-29-15)17(24)26-8/h9-11,14H,1-8H3,(H,23,25)/t11-,14+/m1/s1
InChIKeyNOXYEKNMDXZTPP-RISCZKNCSA-N
XLogP4.82
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate (CID 90665655) is methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2csc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)n2)n1.
What is the InChIKey of methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is NOXYEKNMDXZTPP-RISCZKNCSA-N. The full InChI is InChI=1S/C20H29N3O5S2/c1-11(27-19(2,3)4)14(23-18(25)28-20(5,6)7)16-21-12(9-30-16)15-22-13(10-29-15)17(24)26-8/h9-11,14H,1-8H3,(H,23,25)/t11-,14+/m1/s1.
What are the key properties of methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 455.60 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 90665655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).