methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate

C16H21N3O3S — CID 75497438

IUPACmethyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2c(C3CC3)nc3sccn23)C[C@@H](C)O1
InChIInChI=1S/C16H21N3O3S/c1-10-7-18(9-13(22-10)15(20)21-2)8-12-14(11-3-4-11)17-16-19(12)5-6-23-16/h5-6,10-11,13H,3-4,7-9H2,1-2H3/t10-,13?/m1/s1
InChIKeyMZMYYMBKKZAIRB-VUUHIHSGSA-N
MW335.43 g/mol
LogP2.04
Rot. Bonds4

About methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate

methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate (PubChem CID 75497438) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate
PubChem CID75497438
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Namemethyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2c(C3CC3)nc3sccn23)C[C@@H](C)O1
InChIInChI=1S/C16H21N3O3S/c1-10-7-18(9-13(22-10)15(20)21-2)8-12-14(11-3-4-11)17-16-19(12)5-6-23-16/h5-6,10-11,13H,3-4,7-9H2,1-2H3/t10-,13?/m1/s1
InChIKeyMZMYYMBKKZAIRB-VUUHIHSGSA-N
XLogP2.04
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate (CID 75497438) is methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate is COC(=O)C1CN(Cc2c(C3CC3)nc3sccn23)C[C@@H](C)O1.
What is the InChIKey of methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate?
The InChIKey is MZMYYMBKKZAIRB-VUUHIHSGSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10-7-18(9-13(22-10)15(20)21-2)8-12-14(11-3-4-11)17-16-19(12)5-6-23-16/h5-6,10-11,13H,3-4,7-9H2,1-2H3/t10-,13?/m1/s1.
What are the key properties of methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate?
methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate has a molecular weight of 335.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 75497438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).