methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate

C11H16N2O3S — CID 115538567

IUPACmethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2nc(C)c(C)s2)CCO1
InChIInChI=1S/C11H16N2O3S/c1-7-8(2)17-11(12-7)13-4-5-16-9(6-13)10(14)15-3/h9H,4-6H2,1-3H3
InChIKeyWPOWOWKHTDNMDT-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.14
Rot. Bonds2

About methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate

methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate (PubChem CID 115538567) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate
PubChem CID115538567
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2nc(C)c(C)s2)CCO1
InChIInChI=1S/C11H16N2O3S/c1-7-8(2)17-11(12-7)13-4-5-16-9(6-13)10(14)15-3/h9H,4-6H2,1-3H3
InChIKeyWPOWOWKHTDNMDT-UHFFFAOYSA-N
XLogP1.14
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate (CID 115538567) is methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate is COC(=O)C1CN(c2nc(C)c(C)s2)CCO1.
What is the InChIKey of methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate?
The InChIKey is WPOWOWKHTDNMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-8(2)17-11(12-7)13-4-5-16-9(6-13)10(14)15-3/h9H,4-6H2,1-3H3.
What are the key properties of methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate?
methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate is sourced from PubChem (CID 115538567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).