4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine

C13H16N2OS — CID 101487131

IUPAC4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine
SMILESCCc1cccc2sc(N3CCOCC3)nc12
InChIInChI=1S/C13H16N2OS/c1-2-10-4-3-5-11-12(10)14-13(17-11)15-6-8-16-9-7-15/h3-5H,2,6-9H2,1H3
InChIKeyXRKFWVUGQWRHHR-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.70
Rot. Bonds2

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

4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine (PubChem CID 101487131) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine
PubChem CID101487131
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine
SMILESCCc1cccc2sc(N3CCOCC3)nc12
InChIInChI=1S/C13H16N2OS/c1-2-10-4-3-5-11-12(10)14-13(17-11)15-6-8-16-9-7-15/h3-5H,2,6-9H2,1H3
InChIKeyXRKFWVUGQWRHHR-UHFFFAOYSA-N
XLogP2.70
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of 4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine (CID 101487131) is 4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for 4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for 4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine is CCc1cccc2sc(N3CCOCC3)nc12.
What is the InChIKey of 4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is XRKFWVUGQWRHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-10-4-3-5-11-12(10)14-13(17-11)15-6-8-16-9-7-15/h3-5H,2,6-9H2,1H3.
What are the key properties of 4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine?
4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 248.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 101487131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).