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

C14H22N2O3S — CID 115688127

IUPACmethyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)11-9-20-12(15-11)7-16-5-6-19-8-10(16)13(17)18-4/h9-10H,5-8H2,1-4H3
InChIKeyJWIDTKWAFZFEON-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.81
Rot. Bonds3

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

methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate (PubChem CID 115688127) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate
PubChem CID115688127
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Namemethyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)11-9-20-12(15-11)7-16-5-6-19-8-10(16)13(17)18-4/h9-10H,5-8H2,1-4H3
InChIKeyJWIDTKWAFZFEON-UHFFFAOYSA-N
XLogP1.81
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83101594
methyl 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-3-carboxylate
CID 113247750
methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
CID 115670568
methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 99822543
methyl (2R)-2-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238863
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81212773
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
CID 115670698
methyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxylate
CID 113247736
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103828

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate (CID 115688127) is methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate is COC(=O)C1COCCN1Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate?
The InChIKey is JWIDTKWAFZFEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2,3)11-9-20-12(15-11)7-16-5-6-19-8-10(16)13(17)18-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate?
methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate has a molecular weight of 298.41 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate is sourced from PubChem (CID 115688127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).