6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine

C14H19N3OS — CID 65348845

IUPAC6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCC1CN(Cc2ccc3nc(N)sc3c2)C(C)CO1
InChIInChI=1S/C14H19N3OS/c1-9-8-18-10(2)6-17(9)7-11-3-4-12-13(5-11)19-14(15)16-12/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16)
InChIKeyBNXQPKIFYXDBOE-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.49
Rot. Bonds2

About 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine

6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 65348845) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID65348845
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCC1CN(Cc2ccc3nc(N)sc3c2)C(C)CO1
InChIInChI=1S/C14H19N3OS/c1-9-8-18-10(2)6-17(9)7-11-3-4-12-13(5-11)19-14(15)16-12/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16)
InChIKeyBNXQPKIFYXDBOE-UHFFFAOYSA-N
XLogP2.49
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine (CID 65348845) is 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine is CC1CN(Cc2ccc3nc(N)sc3c2)C(C)CO1.
What is the InChIKey of 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is BNXQPKIFYXDBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-8-18-10(2)6-17(9)7-11-3-4-12-13(5-11)19-14(15)16-12/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16).
What are the key properties of 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine?
6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 277.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).