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

C13H22N2OS — CID 116969136

IUPAC2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine
SMILESCC(C)(C)c1csc(CCC2CNCCO2)n1
InChIInChI=1S/C13H22N2OS/c1-13(2,3)11-9-17-12(15-11)5-4-10-8-14-6-7-16-10/h9-10,14H,4-8H2,1-3H3
InChIKeyMJDDTUNUZCRIPP-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.36
Rot. Bonds3

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

2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine (PubChem CID 116969136) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine
PubChem CID116969136
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine
SMILESCC(C)(C)c1csc(CCC2CNCCO2)n1
InChIInChI=1S/C13H22N2OS/c1-13(2,3)11-9-17-12(15-11)5-4-10-8-14-6-7-16-10/h9-10,14H,4-8H2,1-3H3
InChIKeyMJDDTUNUZCRIPP-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine
CID 66426868
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 94782519
2-[2-(4-tert-butylphenyl)ethyl]morpholine
CID 83652133
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one
CID 115787037
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine
CID 105015928
chloro-dimethyl-(3-morpholin-2-ylpropyl)silane
CID 174707575
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963922
2-[(2S)-morpholin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 125175454
1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one
CID 116586355
N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine
CID 115239287
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
CID 116868516
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine?
The IUPAC name of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine (CID 116969136) is 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine.
What is the SMILES notation for 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine?
The canonical SMILES for 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine is CC(C)(C)c1csc(CCC2CNCCO2)n1.
What is the InChIKey of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine?
The InChIKey is MJDDTUNUZCRIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-13(2,3)11-9-17-12(15-11)5-4-10-8-14-6-7-16-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine?
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine has a molecular weight of 254.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]morpholine is sourced from PubChem (CID 116969136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).