4-(5-methyl-1,3-benzothiazol-2-yl)morpholine

C12H14N2OS — CID 101487130

IUPAC4-(5-methyl-1,3-benzothiazol-2-yl)morpholine
SMILESCc1ccc2sc(N3CCOCC3)nc2c1
InChIInChI=1S/C12H14N2OS/c1-9-2-3-11-10(8-9)13-12(16-11)14-4-6-15-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyMJYRCUWYJYIZOF-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.44
Rot. Bonds1

About 4-(5-methyl-1,3-benzothiazol-2-yl)morpholine

4-(5-methyl-1,3-benzothiazol-2-yl)morpholine (PubChem CID 101487130) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(5-methyl-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-methyl-1,3-benzothiazol-2-yl)morpholine
PubChem CID101487130
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-(5-methyl-1,3-benzothiazol-2-yl)morpholine
SMILESCc1ccc2sc(N3CCOCC3)nc2c1
InChIInChI=1S/C12H14N2OS/c1-9-2-3-11-10(8-9)13-12(16-11)14-4-6-15-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyMJYRCUWYJYIZOF-UHFFFAOYSA-N
XLogP2.44
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of 4-(5-methyl-1,3-benzothiazol-2-yl)morpholine (CID 101487130) is 4-(5-methyl-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-methyl-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-methyl-1,3-benzothiazol-2-yl)morpholine is Cc1ccc2sc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-(5-methyl-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is MJYRCUWYJYIZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-2-3-11-10(8-9)13-12(16-11)14-4-6-15-7-5-14/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(5-methyl-1,3-benzothiazol-2-yl)morpholine?
4-(5-methyl-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 234.32 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 101487130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).