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

C14H19N3OS — CID 61430076

IUPAC5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(N3CCOCC3(C)C)c(N)cc2s1
InChIInChI=1S/C14H19N3OS/c1-9-16-11-7-12(10(15)6-13(11)19-9)17-4-5-18-8-14(17,2)3/h6-7H,4-5,8,15H2,1-3H3
InChIKeyYEYSVIYGWHOHPC-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.80
Rot. Bonds1

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

5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 61430076) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID61430076
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(N3CCOCC3(C)C)c(N)cc2s1
InChIInChI=1S/C14H19N3OS/c1-9-16-11-7-12(10(15)6-13(11)19-9)17-4-5-18-8-14(17,2)3/h6-7H,4-5,8,15H2,1-3H3
InChIKeyYEYSVIYGWHOHPC-UHFFFAOYSA-N
XLogP2.80
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of 5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine (CID 61430076) is 5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2cc(N3CCOCC3(C)C)c(N)cc2s1.
What is the InChIKey of 5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is YEYSVIYGWHOHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-16-11-7-12(10(15)6-13(11)19-9)17-4-5-18-8-14(17,2)3/h6-7H,4-5,8,15H2,1-3H3.
What are the key properties of 5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine?
5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 277.39 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylmorpholin-4-yl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 61430076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).