6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride

C17H25ClN2O2S — CID 24835446

IUPAC6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride
SMILESCC1COCC(C)N1CCCc1ccc2c(c1)sc(=O)n2C.Cl
InChIInChI=1S/C17H24N2O2S.ClH/c1-12-10-21-11-13(2)19(12)8-4-5-14-6-7-15-16(9-14)22-17(20)18(15)3;/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3;1H
InChIKeyWFFBKKDQFFBDQN-UHFFFAOYSA-N
MW356.92 g/mol
LogP3.06
Rot. Bonds4

About 6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride

6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride (PubChem CID 24835446) has the molecular formula C17H25ClN2O2S and a molecular weight of 356.92 g/mol. Its IUPAC name is 6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride.

Molecular Properties

Compound Name6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride
PubChem CID24835446
Molecular FormulaC17H25ClN2O2S
Molecular Weight356.92 g/mol
Exact Mass356.13
IUPAC Name6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride
SMILESCC1COCC(C)N1CCCc1ccc2c(c1)sc(=O)n2C.Cl
InChIInChI=1S/C17H24N2O2S.ClH/c1-12-10-21-11-13(2)19(12)8-4-5-14-6-7-15-16(9-14)22-17(20)18(15)3;/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3;1H
InChIKeyWFFBKKDQFFBDQN-UHFFFAOYSA-N
XLogP3.06
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride?
The IUPAC name of 6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride (CID 24835446) is 6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride.
What is the SMILES notation for 6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride?
The canonical SMILES for 6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride is CC1COCC(C)N1CCCc1ccc2c(c1)sc(=O)n2C.Cl.
What is the InChIKey of 6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride?
The InChIKey is WFFBKKDQFFBDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S.ClH/c1-12-10-21-11-13(2)19(12)8-4-5-14-6-7-15-16(9-14)22-17(20)18(15)3;/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3;1H.
What are the key properties of 6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride?
6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride has a molecular weight of 356.92 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,5-dimethylmorpholin-4-yl)propyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride is sourced from PubChem (CID 24835446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).