methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate

C17H26N2O4S — CID 90338283

IUPACmethyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc([C@H]2C[C@H](C(C)C)N(C(=O)C(C)(C)C)CO2)n1
InChIInChI=1S/C17H26N2O4S/c1-10(2)12-7-13(14-18-11(8-24-14)15(20)22-6)23-9-19(12)16(21)17(3,4)5/h8,10,12-13H,7,9H2,1-6H3/t12-,13-/m1/s1
InChIKeyOLTPZQLQMRHXDG-CHWSQXEVSA-N
MW354.47 g/mol
LogP3.25
Rot. Bonds3

About methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate

methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate (PubChem CID 90338283) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate
PubChem CID90338283
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Namemethyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc([C@H]2C[C@H](C(C)C)N(C(=O)C(C)(C)C)CO2)n1
InChIInChI=1S/C17H26N2O4S/c1-10(2)12-7-13(14-18-11(8-24-14)15(20)22-6)23-9-19(12)16(21)17(3,4)5/h8,10,12-13H,7,9H2,1-6H3/t12-,13-/m1/s1
InChIKeyOLTPZQLQMRHXDG-CHWSQXEVSA-N
XLogP3.25
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate (CID 90338283) is methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc([C@H]2C[C@H](C(C)C)N(C(=O)C(C)(C)C)CO2)n1.
What is the InChIKey of methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is OLTPZQLQMRHXDG-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-10(2)12-7-13(14-18-11(8-24-14)15(20)22-6)23-9-19(12)16(21)17(3,4)5/h8,10,12-13H,7,9H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate?
methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 354.47 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 90338283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).