2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine

C15H20N2OS — CID 117443118

IUPAC2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine
SMILESCC(C)(C)c1nc2ccc(C3CNCCO3)cc2s1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)14-17-11-5-4-10(8-13(11)19-14)12-9-16-6-7-18-12/h4-5,8,12,16H,6-7,9H2,1-3H3
InChIKeyGDIFAQIQRQCCCU-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.25
Rot. Bonds1

About 2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine

2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine (PubChem CID 117443118) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine
PubChem CID117443118
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine
SMILESCC(C)(C)c1nc2ccc(C3CNCCO3)cc2s1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)14-17-11-5-4-10(8-13(11)19-14)12-9-16-6-7-18-12/h4-5,8,12,16H,6-7,9H2,1-3H3
InChIKeyGDIFAQIQRQCCCU-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-[3-(1,1-difluoroethyl)phenyl]morpholine
CID 117326793
2-(1-methoxyisoquinolin-7-yl)morpholine
CID 117362678
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
azane;2-phenylmorpholine
CID 174664757
2-(4-tert-butyl-1,3-oxazol-2-yl)morpholine
CID 105464187
N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 119317985

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine?
The IUPAC name of 2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine (CID 117443118) is 2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine.
What is the SMILES notation for 2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine?
The canonical SMILES for 2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine is CC(C)(C)c1nc2ccc(C3CNCCO3)cc2s1.
What is the InChIKey of 2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine?
The InChIKey is GDIFAQIQRQCCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(2,3)14-17-11-5-4-10(8-13(11)19-14)12-9-16-6-7-18-12/h4-5,8,12,16H,6-7,9H2,1-3H3.
What are the key properties of 2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine?
2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine has a molecular weight of 276.40 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-benzothiazol-6-yl)morpholine is sourced from PubChem (CID 117443118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).