methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate

C15H24N2O3S — CID 71970335

IUPACmethyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2nc(C(C)(C)C)cs2)C[C@@H](C)O1
InChIInChI=1S/C15H24N2O3S/c1-10-6-17(7-11(20-10)14(18)19-5)8-13-16-12(9-21-13)15(2,3)4/h9-11H,6-8H2,1-5H3/t10-,11?/m1/s1
InChIKeyVPFVYWISQVONON-NFJWQWPMSA-N
MW312.44 g/mol
LogP2.20
Rot. Bonds3

About methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate

methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate (PubChem CID 71970335) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate
PubChem CID71970335
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Namemethyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2nc(C(C)(C)C)cs2)C[C@@H](C)O1
InChIInChI=1S/C15H24N2O3S/c1-10-6-17(7-11(20-10)14(18)19-5)8-13-16-12(9-21-13)15(2,3)4/h9-11H,6-8H2,1-5H3/t10-,11?/m1/s1
InChIKeyVPFVYWISQVONON-NFJWQWPMSA-N
XLogP2.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate (CID 71970335) is methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate is COC(=O)C1CN(Cc2nc(C(C)(C)C)cs2)C[C@@H](C)O1.
What is the InChIKey of methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate?
The InChIKey is VPFVYWISQVONON-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-6-17(7-11(20-10)14(18)19-5)8-13-16-12(9-21-13)15(2,3)4/h9-11H,6-8H2,1-5H3/t10-,11?/m1/s1.
What are the key properties of methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate?
methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 71970335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).