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

C12H20N2OS — CID 116890422

IUPAC3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC(C)(C)c1nc(CC2COCCN2)cs1
InChIInChI=1S/C12H20N2OS/c1-12(2,3)11-14-10(8-16-11)6-9-7-15-5-4-13-9/h8-9,13H,4-7H2,1-3H3
InChIKeyXAOJNKZPODRLCC-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.97
Rot. Bonds2

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

3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 116890422) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID116890422
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC(C)(C)c1nc(CC2COCCN2)cs1
InChIInChI=1S/C12H20N2OS/c1-12(2,3)11-14-10(8-16-11)6-9-7-15-5-4-13-9/h8-9,13H,4-7H2,1-3H3
InChIKeyXAOJNKZPODRLCC-UHFFFAOYSA-N
XLogP1.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine
CID 116881149
3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine
CID 116927963
4-(morpholin-3-ylmethyl)pyrimidin-2-amine
CID 83847459
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603621
3-[(4-propylpyrimidin-2-yl)methyl]morpholine
CID 116901884
ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine
CID 142596245
3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine
CID 102929501
tert-butyl-[[(3R)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride
CID 131732786
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine
CID 66186891
3-(thiatriazol-5-ylmethyl)morpholine
CID 116985755
3-[(5-methylfuran-2-yl)methyl]morpholine
CID 116927979
1-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595810

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine (CID 116890422) is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine is CC(C)(C)c1nc(CC2COCCN2)cs1.
What is the InChIKey of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is XAOJNKZPODRLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2,3)11-14-10(8-16-11)6-9-7-15-5-4-13-9/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine?
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 240.37 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 116890422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).