4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine

C13H16N2OS — CID 16849831

IUPAC4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine
SMILESCc1cc2nc(N3CCOCC3)sc2cc1C
InChIInChI=1S/C13H16N2OS/c1-9-7-11-12(8-10(9)2)17-13(14-11)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3
InChIKeyQKFPVRJWGOALJV-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.75
Rot. Bonds1

About 4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine

4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine (PubChem CID 16849831) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine
PubChem CID16849831
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine
SMILESCc1cc2nc(N3CCOCC3)sc2cc1C
InChIInChI=1S/C13H16N2OS/c1-9-7-11-12(8-10(9)2)17-13(14-11)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3
InChIKeyQKFPVRJWGOALJV-UHFFFAOYSA-N
XLogP2.75
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of 4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine (CID 16849831) is 4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for 4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine is Cc1cc2nc(N3CCOCC3)sc2cc1C.
What is the InChIKey of 4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is QKFPVRJWGOALJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-7-11-12(8-10(9)2)17-13(14-11)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine?
4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 248.35 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 16849831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).