tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate

C16H24N2O4S — CID 104856561

IUPACtert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate
SMILESCc1nc(C(=O)CC2COCCN2C(=O)OC(C)(C)C)c(C)s1
InChIInChI=1S/C16H24N2O4S/c1-10-14(17-11(2)23-10)13(19)8-12-9-21-7-6-18(12)15(20)22-16(3,4)5/h12H,6-9H2,1-5H3
InChIKeyUWEGIGQDXQXJQD-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate

tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate (PubChem CID 104856561) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate
PubChem CID104856561
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Nametert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate
SMILESCc1nc(C(=O)CC2COCCN2C(=O)OC(C)(C)C)c(C)s1
InChIInChI=1S/C16H24N2O4S/c1-10-14(17-11(2)23-10)13(19)8-12-9-21-7-6-18(12)15(20)22-16(3,4)5/h12H,6-9H2,1-5H3
InChIKeyUWEGIGQDXQXJQD-UHFFFAOYSA-N
XLogP2.97
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate (CID 104856561) is tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate is Cc1nc(C(=O)CC2COCCN2C(=O)OC(C)(C)C)c(C)s1.
What is the InChIKey of tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate?
The InChIKey is UWEGIGQDXQXJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-10-14(17-11(2)23-10)13(19)8-12-9-21-7-6-18(12)15(20)22-16(3,4)5/h12H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate?
tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate is sourced from PubChem (CID 104856561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).