4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine

C12H20N2OS — CID 91428645

IUPAC4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC(C)(C)c1scnc1CN1CCOCC1
InChIInChI=1S/C12H20N2OS/c1-12(2,3)11-10(13-9-16-11)8-14-4-6-15-7-5-14/h9H,4-8H2,1-3H3
InChIKeySESDUPJNBLXCSY-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.27
Rot. Bonds2

About 4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine

4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 91428645) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID91428645
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC(C)(C)c1scnc1CN1CCOCC1
InChIInChI=1S/C12H20N2OS/c1-12(2,3)11-10(13-9-16-11)8-14-4-6-15-7-5-14/h9H,4-8H2,1-3H3
InChIKeySESDUPJNBLXCSY-UHFFFAOYSA-N
XLogP2.27
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine
CID 164775880
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
4-[(2-tert-butyl-4-pyridinyl)methyl]morpholine
CID 58209224
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine
CID 83959702
N-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine
CID 158263053
5-methyl-4-(morpholin-4-ylmethyl)pyrimidin-2-amine
CID 140974080
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
4-[(3,5-difluoro-2-pyridinyl)methyl]morpholine
CID 171333753
4-[(5-tert-butylcyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 126724586
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of 4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine (CID 91428645) is 4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine is CC(C)(C)c1scnc1CN1CCOCC1.
What is the InChIKey of 4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is SESDUPJNBLXCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2,3)11-10(13-9-16-11)8-14-4-6-15-7-5-14/h9H,4-8H2,1-3H3.
What are the key properties of 4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine?
4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 240.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 91428645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).