4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine

C11H10Cl2N2OS — CID 3240841

IUPAC4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine
SMILESClc1ccc(Cl)c2sc(N3CCOCC3)nc12
InChIInChI=1S/C11H10Cl2N2OS/c12-7-1-2-8(13)10-9(7)14-11(17-10)15-3-5-16-6-4-15/h1-2H,3-6H2
InChIKeyPWYYGVOYPDHUMM-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.44
Rot. Bonds1

About 4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine

4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine (PubChem CID 3240841) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine
PubChem CID3240841
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine
SMILESClc1ccc(Cl)c2sc(N3CCOCC3)nc12
InChIInChI=1S/C11H10Cl2N2OS/c12-7-1-2-8(13)10-9(7)14-11(17-10)15-3-5-16-6-4-15/h1-2H,3-6H2
InChIKeyPWYYGVOYPDHUMM-UHFFFAOYSA-N
XLogP3.44
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of 4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine (CID 3240841) is 4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for 4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for 4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine is Clc1ccc(Cl)c2sc(N3CCOCC3)nc12.
What is the InChIKey of 4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is PWYYGVOYPDHUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c12-7-1-2-8(13)10-9(7)14-11(17-10)15-3-5-16-6-4-15/h1-2H,3-6H2.
What are the key properties of 4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine?
4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 289.19 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-dichloro-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 3240841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).