4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride

C12H14Cl2N2O2S — CID 16849828

IUPAC4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride
SMILESCOc1ccc(Cl)c2sc(N3CCOCC3)nc12.Cl
InChIInChI=1S/C12H13ClN2O2S.ClH/c1-16-9-3-2-8(13)11-10(9)14-12(18-11)15-4-6-17-7-5-15;/h2-3H,4-7H2,1H3;1H
InChIKeyRJTOPLWHOOCDDA-UHFFFAOYSA-N
MW321.23 g/mol
LogP3.22
Rot. Bonds2

About 4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride

4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride (PubChem CID 16849828) has the molecular formula C12H14Cl2N2O2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride
PubChem CID16849828
Molecular FormulaC12H14Cl2N2O2S
Molecular Weight321.23 g/mol
Exact Mass320.02
IUPAC Name4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride
SMILESCOc1ccc(Cl)c2sc(N3CCOCC3)nc12.Cl
InChIInChI=1S/C12H13ClN2O2S.ClH/c1-16-9-3-2-8(13)11-10(9)14-12(18-11)15-4-6-17-7-5-15;/h2-3H,4-7H2,1H3;1H
InChIKeyRJTOPLWHOOCDDA-UHFFFAOYSA-N
XLogP3.22
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride?
The IUPAC name of 4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride (CID 16849828) is 4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride.
What is the SMILES notation for 4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride?
The canonical SMILES for 4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride is COc1ccc(Cl)c2sc(N3CCOCC3)nc12.Cl.
What is the InChIKey of 4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride?
The InChIKey is RJTOPLWHOOCDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S.ClH/c1-16-9-3-2-8(13)11-10(9)14-12(18-11)15-4-6-17-7-5-15;/h2-3H,4-7H2,1H3;1H.
What are the key properties of 4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride?
4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride has a molecular weight of 321.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride is sourced from PubChem (CID 16849828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).