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

C11H11ClN2OS — CID 3237878

IUPAC4-(4-chloro-1,3-benzothiazol-2-yl)morpholine
SMILESClc1cccc2sc(N3CCOCC3)nc12
InChIInChI=1S/C11H11ClN2OS/c12-8-2-1-3-9-10(8)13-11(16-9)14-4-6-15-7-5-14/h1-3H,4-7H2
InChIKeyDQQSOHZJORLWBZ-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.79
Rot. Bonds1

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

4-(4-chloro-1,3-benzothiazol-2-yl)morpholine (PubChem CID 3237878) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 4-(4-chloro-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-1,3-benzothiazol-2-yl)morpholine
PubChem CID3237878
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name4-(4-chloro-1,3-benzothiazol-2-yl)morpholine
SMILESClc1cccc2sc(N3CCOCC3)nc12
InChIInChI=1S/C11H11ClN2OS/c12-8-2-1-3-9-10(8)13-11(16-9)14-4-6-15-7-5-14/h1-3H,4-7H2
InChIKeyDQQSOHZJORLWBZ-UHFFFAOYSA-N
XLogP2.79
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of 4-(4-chloro-1,3-benzothiazol-2-yl)morpholine (CID 3237878) is 4-(4-chloro-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-1,3-benzothiazol-2-yl)morpholine is Clc1cccc2sc(N3CCOCC3)nc12.
What is the InChIKey of 4-(4-chloro-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is DQQSOHZJORLWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-8-2-1-3-9-10(8)13-11(16-9)14-4-6-15-7-5-14/h1-3H,4-7H2.
What are the key properties of 4-(4-chloro-1,3-benzothiazol-2-yl)morpholine?
4-(4-chloro-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 254.74 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 3237878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).