3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine

C15H24N2OS — CID 102748351

IUPAC3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine
SMILESCC1(C)Cc2nc(C3COCCN3)sc2C(C)(C)C1
InChIInChI=1S/C15H24N2OS/c1-14(2)7-10-12(15(3,4)9-14)19-13(17-10)11-8-18-6-5-16-11/h11,16H,5-9H2,1-4H3
InChIKeyINFGNKYJXLFIRW-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.05
Rot. Bonds1

About 3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine

3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine (PubChem CID 102748351) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Name3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine
PubChem CID102748351
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine
SMILESCC1(C)Cc2nc(C3COCCN3)sc2C(C)(C)C1
InChIInChI=1S/C15H24N2OS/c1-14(2)7-10-12(15(3,4)9-14)19-13(17-10)11-8-18-6-5-16-11/h11,16H,5-9H2,1-4H3
InChIKeyINFGNKYJXLFIRW-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of 3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine (CID 102748351) is 3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for 3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for 3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine is CC1(C)Cc2nc(C3COCCN3)sc2C(C)(C)C1.
What is the InChIKey of 3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is INFGNKYJXLFIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-14(2)7-10-12(15(3,4)9-14)19-13(17-10)11-8-18-6-5-16-11/h11,16H,5-9H2,1-4H3.
What are the key properties of 3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine?
3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 280.44 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 102748351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).